publicationDate,title,abstract,id 2023-09-21,Lateral Solid Phase Epitaxy of Yttrium Iron Garnet,"Solid phase epitaxy is a crystallization technique used to produce high quality thin films. Lateral solid phase epitaxy furthermore enables the realization of non-planar structures, which are interesting, e.g., in the field of spintronics. Here, we demonstrate lateral solid phase epitaxy of yttrium iron garnet over an artificial edge, such that the crystallization direction is perpendicular to the initial seed. We use single crystalline garnet seed substrates partially covered by a \ch{SiO_x} film to study the lateral crystallization over the \ch{SiO_x} mesa. The yttrium iron garnet layer retains the crystal orientation of the substrate not only when in direct contact with the substrate, but also across the edge on top of the \ch{SiO_x} mesa. By controlling the crystallization dynamics it is possible to almost completely suppress the formation of polycrystals and to enable epitaxial growth of single crystalline yttrium iron garnet on top of mesas made from arbitrary materials. From a series of annealing experiments, we extract an activation energy of \SI{2.8}{eV} and a velocity prefactor of \SI{5.1e13}{nm/s} for the lateral epitaxial crystallization along the <$100$> direction. Our results pave the way to engineer single crystalline non-planar yttrium iron garnet structures with controlled crystal orientation.",2309.12002v1 2019-01-25,Focused ion beam modification of non-local magnon-based transport in yttrium iron garnet/platinum heterostructures,"We study the impact of Ga ion exposure on the local and non-local magnetotransport response in heterostructures of the ferrimagnetic insulator yttrium iron garnet and platinum. In particular, we cut the yttrium iron garnet layer in between two electrically separated wires of platinum using a Ga ion beam, and study the ensuing changes in the magnetoresistive response. We find that the non-local magnetoresistance signal vanishes when the yttrium iron garnet film between the Pt wires is fully cut, although the local spin Hall magnetoresistance signal remains finite. This observation corroborates the notion that pure spin currents carried by magnons are crucial for the non-local magnetotransport effects observed in magnetic insulator/metal nanostructures.",1901.08894v1 2017-12-27,Finite temperature magnon spectra in yttrium iron garnet from mean field approach in tight-binding model,"We study magnon spectra at finite temperature in yttrium iron garnet from tight-binding model with nearest neighboring exchange interaction. The spin reduction due to thermal magnon excitation are taken into account via the mean field approximation to the local spin and found to be different at two sets of iron atoms. The resulting temperature dependence of the spin wave gap shows good agreement with experiment. We find only two magnon modes are relevant to ferromagnetic resonance.",1712.09512v1 2023-02-21,Aluminium substituted yttrium iron garnet thin films with reduced Curie temperature,"Magnetic garnets such as yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$, YIG) are widely used in spintronic and magnonic devices. Their magnetic and magneto-optical properties can be modified over a wide range by tailoring their chemical composition. Here, we report the successful growth of Al-substituted yttrium iron garnet (YAlIG) thin films via radio frequency sputtering in combination with an ex situ annealing step. Upon selecting appropriate process parameters, we obtain highly crystalline YAlIG films with different Al$^{3+}$ substitution levels on both, single crystalline Y$_3$Al$_5$O$_{12}$ (YAG) and Gd$_3$Ga$_5$O$_{12}$ (GGG) substrates. With increasing Al$^{3+}$ substitution levels, we observe a reduction of the saturation magnetisation as well as a systematic decrease of the magnetic ordering temperature to values well below room temperature. YAlIG thin films thus provide an interesting material platform for spintronic and magnonic experiments in different magnetic phases.",2302.10517v2 2012-07-13,Magnetic relaxation in bilayers of yttrium iron garnet/platinum due to the dynamic coupling at the interface,"We show that in ferromagnetic (FM)/normal metal (NM) bilayers the dynamic coupling at the interface transfers an additional magnetic relaxation from the heavily damped motion of the conduction electron spins in the NM layer to the FM spins. While the FM relaxation rates due to two-magnon scattering and spin pumping decrease rapidly with increasing FM film thickness, the damping due to the dynamic coupling does not depend on the FM film thickness. The proposed mechanism explains the very large broadening of ferromagnetic resonance lines in thick films of yttrium iron garnet after deposition of a Pt layer.",1207.3330v1 2013-02-28,Spin mixing conductance at a well-controlled platinum/yttrium iron garnet interface,"A platinum (Pt)/yttrium iron garnet (YIG) bilayer system with a well-controlled interface has been developed; spin mixing conductance at the Pt/YIG interface has been studied. Crystal perfection at the interface is experimentally demonstrated to contribute to large spin mixing conductance. The spin mixing conductance is obtained to be $1.3\times10^{18} \rm{m^{-2}}$ at the well-controlled Pt/YIG interface, which is close to a theoretical prediction.",1302.7091v3 2013-09-09,Induced magneto-transport properties at palladium/yttrium iron garnet interface,"As a thin layer of palladium (Pd) is directly deposited on an yttrium iron garnet or YIG (Y3Fe5O12) magnetic insulator film, Pd develops both low- and high-field magneto-transport effects that are absent in standalone Pd or thick Pd on YIG. While the low-field magnetoresistance peak of Pd tracks the coercive field of the YIG film, the much larger high-field magnetoresistance and the Hall effect do not show any obvious relationship with the bulk YIG magnetization. The distinct high-field magneto-transport effects in Pd are shown to be caused by interfacial local moments in Pd.",1309.2213v1 2016-07-12,Thermal spin dynamics of yttrium iron garnet,"Yttrium Iron Garnet is the prototypical material used to study pure spin currents. It is a complex material with 20 magnetic atoms in the unit cell. Almost all theories and experimental analysis approximates this complicated material to a simple ferromagnet with a single spin wave mode. We use the method of atomistic spin dynamics to study the temperature evolution of the full 20 mode exchange spin wave spectrum. Our results show a strong frequency dependence of the modes in quantitative agreement with neutron scattering experiments. We find this causes in a reduction in the net spin pumping due to the thermal occupation of optical modes with the opposite chirality to the FMR mode.",1607.03263v1 2018-11-06,Parametrically squeezed states of microwave magnons in yttrium iron garnet films,"We demonstrate theoretically, and confirm experimentally, that nonlinear spin waves excited in thin yttrium iron garnet films are good candidates for squeezing vacuum quantum noise. The experimental demonstration is in the form of a measurement of spin-wave induced modulation instability (IMI) conducted in the classical regime. The experiment evidences strong phase locking of an idler wave parametrically generated in the film with a deterministic small-signal wave launched into the film from an external source. The theory predicts that the same behaviour will be observed for vacuum quantum noise, resulting in squeezing of the noise.",1811.02104v1 2002-02-10,Stable Magnetostatic Solitons in Yttrium Iron Garnet Film Waveguides for Tilted in-Plane Magnetic Fields,"The possibility of nonlinear pulses generation in Yttrium Iron Garnet thin films for arbitrary direction between waveguide and applied static in-plane magnetic field is considered. Up to now only the cases of in-plane magnetic fields either perpendicular or parallel to waveguide direction have been studied both experimentally and theoretically. In the present paper it is shown that also for other angles (besides 0 or 90 degrees) between a waveguide and static in-plane magnetic field the stable bright or dark (depending on magnitude of magnetic field) solitons could be created.",0202167v1 2020-11-17,Non-local magnon-based transport in yttrium iron garnet/platinum heterostructures at high temperatures,"The spin Hall effect in a heavy metal thin film allows to probe the magnetic properties of an adjacent magnetic insulator via magnetotransport measurements. Here, we investigate the magnetoresistive response of yttrium iron garnet/platinum heterostructures from room temperature to beyond the Curie temperature $T_\mathrm{C, YIG} \approx 560\,\mathrm{K}$ of the ferrimagnetic insulator. We find that the amplitude of the (local) spin Hall magnetoresistance decreases monotonically from $300\,\mathrm{K}$ towards $T_\mathrm{C}$, mimicking the evolution of the saturation magnetization of yttrium iron garnet. Interestingly, the spin Hall magnetoresistance vanishes around $500\,\mathrm{K}$, well below $T_\mathrm{C}$, which we attribute to the formation of a parasitic interface layer by interdiffusion. Around room temperature the non-local magnon-mediated magnetoresistance exhibits a power law scaling $T^{\alpha}$ with $\alpha = 3/2$, as already reported. The exponent decreases gradually to $\alpha \sim 1/2$ at around $420\,\mathrm{K}$, before the non-local magnetoresistance vanishes rapidly at a similar temperature as the spin Hall magnetoresistance. We attribute the reduced $\alpha$ at high temperatures to the increasing thermal magnon population which leads to enhanced scattering of the non-equilibrium magnon population and a reduced magnon diffusion length. Finally, we find a magnetic field independent offset voltage in the non-local signal for $T > 470\,\mathrm{K}$ which we associate with electronic leakage currents through the normally insulating yttrium iron garnet film. Indeed, this non-local offset voltage is thermally activated with an energy close to the band gap.",2011.08589v1 2022-03-08,Enhancement of thermal spin pumping by orbital angular momentum of rare earth iron garnet,"In a bilayer of ferromagnetic and non-magnetic metal, spin pumping can be generated by a thermal gradient. The spin current generation depends on the spin mixing conductance of the interface and the magnetic properties of the ferromagnetic layer. Due to its low intrinsic damping, rare earth iron garnet is often used for the ferromagnetic layer in the spin Seebeck experiment. However, it is actually a ferrimagnetic with antiferromagnetically coupled magnetic lattices and the contribution of rare earth magnetic lattice of rare earth iron garnet on thermal spin pumping is not well understand. Here we focus on the effect of magnetic properties of lanthanide and show that the orbital angular momentum of rare earth iron garnet enhances thermal spin current generation of lanthanide substituted yttrium iron garnet.",2203.03915v2 2014-02-26,Magneto-elastic modes and lifetime of magnons in thin yttrium-iron garnet films,"We calculate the effects of the spin-lattice coupling on the magnon spectrum of thin ferromagnetic films consisting of the magnetic insulator yttrium-iron garnet. The magnon-phonon hybridisation generates a characteristic minimum in the spin dynamic structure factor which quantitatively agrees with recent Brillouin light scattering experiments. We also show that at room temperature the phonon contribution to the magnon damping exhibits a rather complicated momentum dependence: In the exchange regime the magnon damping is dominated by Cherenkov type scattering processes, while in the long-wavelength dipolar regime these processes are subdominant and the magnon damping is two orders of magnitude smaller. We supplement our calculations by actual measurements of the magnon relaxation in the dipolar regime. Our theory provides a simple explanation of a recent experiment probing the different temperatures of the magnon and phonon gases in yttrium-iron garnet.",1402.6575v2 2016-02-24,Spin Seebeck effect at microwave frequencies,"We experimentally study the transient voltage response of yttrium iron garnet/platinum bilayer samples subject to periodic heating up to gigahertz frequencies. We observe an intrinsic cutoff frequency of the induced thermopower voltage, which characteristically depends on the thickness of the yttrium iron garnet film. The cutoff frequency reaches values of up to 350 MHz in a 50 nm thick yttrium iron garnet film, but drops to below 1 MHz for several-micrometer-thick films. These data corroborate the notion that the magnon spectrum responsible for the spin current emission in the spin Seebeck effect can be shaped by tuning the thickness of the ferromagnetic layer.",1602.07442v2 2021-12-06,Accumulation of magnetoelastic bosons in yttrium iron garnet: kinetic theory and wave vector resolved Brillouin light scattering,"We derive and solve quantum kinetic equations describing the accumulation of magnetoelastic bosons in an overpopulated magnon gas realized in a thin film of the magnetic insulator yttrium iron garnet. We show that in the presence of a magnon condensate, there is a non-equilibrium steady state in which incoherent magnetoelastic bosons accumulate in a narrow region in momentum space for energies slightly below the bottom of the magnon spectrum. The results of our calculations agree quite well with Brillouin light scattering measurements of the stationary non-equilibrium state of magnons and magnetoelastic bosons in yttrium iron garnet.",2112.03310v2 2020-09-30,Electronic structure and finite temperature magnetism of yttrium iron garnet,"Yttrium iron garnet is a complex ferrimagnetic insulator with 20 magnon modes which is used extensively in fundamental experimental studies of magnetisation dynamics. As a transition metal oxide with moderate gap (2.8 eV), yttrium iron garnet requires a careful treatment of electronic correlation. We have applied quasiparticle self-consistent GW to provide a fully ab initio description of the electronic structure and resulting magnetic properties, including the parameterisation of a Heisenberg model for magnetic exchange interactions. Subsequent spin dynamical modelling with quantum statistics extends our description to the magnon spectrum and thermodynamic properties such as the Curie temperature, finding favourable agreement with experimental measurements. This work provides a snapshot of the state-of-the art in modelling of complex magnetic insulators.",2009.14601v1 2018-07-02,Picosecond acoustic excitation driven ultrafast magnetization dynamics in dielectric Bi-substituted yttrium iron garnet,"Using femtosecond optical pulses, we have investigated the ultrafast magnetization dynamics induced in a dielectric film of bismuth-substituted yttrium iron garnet (Bi-YIG) buried below a thick Cu/Pt metallic bilayer. We show that exciting the sample from Pt surface launches an acoustic strain pulse propagating into the garnet film. We discovered that this strain pulse induces a coherent magnetization precession in the Bi-YIG at the frequency of the ferromagnetic resonance. The observed phenomena can be explain by strain-induced changes of magnetocristalline anisotropy via the inverse magnetostriction effect. These findings open new perspectives toward the control of the magnetization in magnetic garnets embedded in complex heterostructure devices.",1807.00610v1 2019-03-01,Nanoscale X-Ray Imaging of Spin Dynamics in Yttrium Iron Garnet,"Time-resolved scanning transmission x-ray microscopy (TR-STXM) has been used for the direct imaging of spin wave dynamics in thin film yttrium iron garnet (YIG) with spatial resolution in the sub 100 nm range. Application of this x-ray transmission technique to single crystalline garnet films was achieved by extracting a lamella (13x5x0.185 $\mathrm{\mu m^3}$) of liquid phase epitaxy grown YIG thin film out of a gadolinium gallium garnet substrate. Spin waves in the sample were measured along the Damon-Eshbach and backward volume directions of propagation at gigahertz frequencies and with wavelengths in a range between 100~nm and 10~$\mathrm{\mu}$m. The results were compared to theoretical models. Here, the widely used approximate dispersion equation for dipole-exchange spin waves proved to be insufficient for describing the observed Damon-Eshbach type modes. For achieving an accurate description, we made use of the full analytical theory taking mode-hybridization effects into account.",1903.00498v1 2018-03-15,Synthetic antiferromagnetic coupling between ultra-thin insulating garnets,"The use of magnetic insulators is attracting a lot of interest due to a rich variety of spin-dependent phenomena with potential applications to spintronic devices. Here we report ultra-thin yttrium iron garnet (YIG) / gadolinium iron garnet (GdIG) insulating bilayers on gadolinium iron garnet (GGG). From spin Hall magnetoresistance (SMR) and X-ray magnetic circular dichroism measurements, we show that the YIG and GdIG magnetically couple antiparallel even in moderate in-plane magnetic fields. The results demonstrate an all-insulating equivalent of a synthetic antiferromagnet in a garnet-based thin film heterostructure and could open new venues for insulators in magnetic devices. As an example, we demonstrate a memory element with orthogonal magnetization switching that can be read by SMR.",1803.05545v1 2021-09-24,Damping in yttrium iron garnet film with an interface,"We report strong damping enhancement in a 200 nm thick yttrium iron garnet (YIG) film due to spin inhomogeneity at the interface. The growth-induced thin interfacial gadolinium iron garnet (GdIG) layer antiferromagnetically (AFM) exchange couples with the rest of the YIG layer. The out-of-plane angular variation of ferromagnetic resonance (FMR) linewidth $\Delta H$ reflects a large inhomogeneous distribution of effective magnetization $\Delta 4 \pi M_{eff}$ due to the presence of an exchange springlike moments arrangement in YIG. We probe the spin inhomogeneity at the YIG-GdIG interface by performing an in-plane angular variation of resonance field $H_{r}$, leading to a unidirectional feature. The large extrinsic $\Delta 4\pi M_{eff}$ contribution, apart from the inherent intrinsic Gilbert contribution, manifests enhanced precessional damping in YIG film.",2109.12071v1 2021-07-14,Ultrafast Optomagnonics in Ferrimagnetic Multi-Sublattice Garnets,"This review discusses the ultrafast magnetization dynamics within the gigahertz to terahertz frequency range in ferrimagnetic rare-earth iron garnets with different substitutions. In these garnets, the roles of spin-orbit and exchange interactions have been detected using femtosecond laser pulses via the inverse Faraday effect. The all-optical control of spin-wave and Kaplan-Kittel exchange resonance modes in different frequency ranges is shown. Generation and localization of the electric field distribution inside the garnet through the metal-bound surface plasmon-polariton strongly enhance the amplitude of the exchange resonance modes. The exchange resonance mode in yttrium iron garnets was observed using circularly polarized Raman spectroscopy. The results of this study may be utilized in the development of a wide class of optomagnonic devices in the gigahertz to terahertz frequency range.",2107.06597v1 2016-04-28,Platinum/Yttrium Iron Garnet Inverted Structures for Spin Current Transport,"30-80 nm thick yttrium iron garnet (YIG) films are grown by pulsed laser deposition on a 5 nm thick sputtered Pt atop gadolinium gallium garnet substrate (GGG) (110). Upon post-growth rapid thermal annealing, single crystal YIG(110) emerges as if it were epitaxially grown on GGG(110) despite the presence of the intermediate Pt film. The YIG surface shows atomic steps with the root-mean-square roughness of 0.12 nm on flat terraces. Both Pt/YIG and GGG/Pt interfaces are atomically sharp. The resulting YIG(110) films show clear in-plane uniaxial magnetic anisotropy with a well-defined easy axis along <001> and a peak-to-peak ferromagnetic resonance linewidth of 7.5 Oe at 9.32 GHz, similar to YIG epitaxilly grown on GGG. Both spin Hall magnetoresistance and longitudinal spin Seebeck effects in the inverted bilayers indicate excellent Pt/YIG interface quality.",1604.08465v1 2019-01-08,Fabrication of yttrium-iron-garnet/Pt multilayers for the longitudinal spin Seebeck effect,"For longitudinal spin Seebeck effect (LSSE) devices, a multilayer structure comprising ferromagnetic and nonmagnetic layers is expected to improve their thermoelectric power. In this study, we developed the fabrication method for alternately stacked yttrium-iron-garnet (YIG)/Pt multilayer films on a gadolinium gallium garnet (GGG) (110) substrate, GGG/[YIG(49 nm)/Pt(4 nm)]$_n$ ($n =$ 1 - 5) based on room-temperature sputtering and $ex$-$situ$ post-annealing method and we evaluated their structural and LSSE properties. The fabricated [YIG/Pt]$_n$ samples show flat YIG/Pt interfaces and almost identical saturation magnetization $M_{\rm s}$, although they contain polycrystalline YIG layers on Pt layers as well as single-crystalline YIG layers on GGG. In the samples, we observed clear LSSE signals and found that the LSSE thermoelectric power factor (PF) increases monotonically with increasing $n$; the PF of the [YIG/Pt]$_5$ sample is enhanced by a factor of $\sim 28$ compared to that of [YIG/Pt]$_1$. This work may provide a guideline for developing future multilayerbased LSSE devices.",1901.02129v1 2019-02-12,Ultra-low damping in lift-off structured yttrium iron garnet thin films,"We show that using maskless photolithography and the lift-off technique, patterned yttrium iron garnet thin films possessing ultra-low Gilbert damping can be accomplished. The films of 70 nm thickness were grown on (001)-oriented gadolinium gallium garnet by means of pulsed laser deposition, and they exhibit high crystalline quality, low surface roughness, and the effective magnetization of 127 emu/cm3. The Gilbert damping parameter is as low as 5x10-4. The obtained structures have well-defined sharp edges which along with good structural and magnetic film properties pave a path in the fabrication of high-quality magnonic circuits and oxide-based spintronic devices.",1902.04605v1 2020-08-21,Integration and characterization of micron-sized YIG structures with very low Gilbert damping on arbitrary substrates,"We present a novel process that allows the transfer of monocrystalline yttrium-iron-garnet microstructures onto virtually any kind of substrate. The process is based on a recently developed method that allows the fabrication of freestanding monocrystalline YIG bridges on gadolinium-gallium-garnet. Here the bridges' spans are detached from the substrate by a dry etching process and immersed in a watery solution. Using drop casting the immersed YIG platelets can be transferred onto the substrate of choice, where the structures finally can be reattached and thus be integrated into complex devices or experimental geometries. Using time resolved scanning Kerr microscopy and inductively measured ferromagnetic resonance we can demonstrate that the structures retain their excellent magnetic quality. At room temperature we find a ferromagnetic resonance linewidth of $\mu_0\Delta H_{HWHM}\approx 195\,\mu T$ and we were even able to inductively measure magnon spectra on a single micron-sized yttrium-iron-garnet platelet at a temperature of 5 K. The process is flexible in terms of substrate material and shape of the structure. In the future this approach will allow for new types of spin dynamics experiments up to now unthinkable.",2008.09390v1 2021-12-14,Robust perpendicular magnetic anisotropy in Ce substituted yttrium iron garnet epitaxial thin films,"Cerium substituted yttrium iron garnet (Ce:YIG) epitaxial thin films are prepared on gadolinium gallium garnet (GGG) substrate with pulsed laser deposition (PLD). It is observed that the films grown on GGG(111) substrate exhibit perpendicular magnetic anisotropy (PMA) as compared to films grown on GGG(100) substrate. The developed PMA is confirmed from magneto-optical Kerr effect, bulk magnetization and ferromagnetic resonance measurements. Further, the magnetic bubble domains are observed in the films exhibiting PMA. The observations are explained in terms of the growth direction of Ce:YIG films and the interplay of various magnetic anisotropy terms. The observed PMA is found to be tunable with thickness of the film and a remarkable temperature stability of the PMA is observed in all the studied films of Ce:YIG deposited on GGG(111) substrate.",2112.07264v1 2017-02-10,"Relative weight of the inverse spin Hall and spin rectification effects for metallic Py,Fe/Pt and insulating YIG/Pt bilayers estimated by angular dependent spin pumping measurements","We quantify the relative weight of inverse spin Hall and spin rectification effects occurring in RF-sputtered polycrystalline permalloy, molecular beam epitaxy-grown epitaxial iron and liquid phase epitaxy-grown yttrium-iron-garnet bilayer systems with different capping materials. To distinguish the spin rectification signal from the inverse spin Hall voltage the external magnetic field is rotated in-plane to take advantage of the different angular dependencies of the prevailing effects. We prove that in permalloy anisotropic magnetoresistance is the dominant source for spin rectification while in epitaxial iron the anomalous Hall effect has an also comparable strength. The rectification in yttrium-iron-garnet/platinum bilayers reveals an angular dependence imitating the one seen for anisotropic magnetoresistance caused by spin Hall magnetoresistance.",1702.03119v1 2019-02-01,Quantum thermodynamics of complex ferrimagnets,"High-quality magnets such as yttrium iron garnet (YIG) are electrically insulating and very complex. By implementing a quantum thermostat into atomistic spin dynamics we compute YIG's key thermodynamic properties, viz. the magnon power spectrum and specific heat, for a large temperature range. The results differ (sometimes spectacularly) from simple models and classical statistics, but agree with available experimental data.",1902.00449v1 2022-08-17,Polarization-selective magneto-optical modulation,"We study magneto-optical coupling in a ferrimagnetic sphere resonator made of Yttrium iron garnet. We find that the resonator can be operated in the telecom band as a polarization-selective optical modulator. Intermodulation gain can be employed in the nonlinear regime for amplification.",2208.08148v2 2022-10-08,One Analytical Approach of Rashba-Edelstein Magnetoresistance in 2D Materials,"We study analytically the Rashba-Edelstein magnetoresistance (REMR) in a structure made from an insulator ferromagnet, such as yttrium iron garnet (YIG), and a 2D material (2DM) with direct and inverse Rashba-Edelstein effects, such as SLG and MoS$_2$. Our results represent an efficient way of analyzing the Rashba-Edelstein effects.",2210.03854v1 2024-01-17,A Distributed Magnetostatic Resonator,"This work reports the design, fabrication, and characterization of coupling-enhanced magnetostatic forward volume wave resonators with significant spur suppression. The fabrication is based on surface micro-machining of yttrium iron garnet (YIG) film on a gadolinium gallium garnet (GGG) substrate with thick gold transducers. A distributed resonator is used to excite forward volume waves in YIG to realize a frequency dependent coupling boost. Fabricated devices at 18 GHz and 7 GHz show coupling coefficients as high as 13$\%$ and quality factors above 1000. Higher-order magnetostatic mode suppression is experimentally demonstrated through a combination of transducer and YIG geometry design. An edge-coupling filter topology is proposed and simulated which utilizes this novel distributed magnetostatic resonator.",2401.08911v1 2019-10-07,Chiral spin-wave velocities induced by all-garnet interfacial Dzyaloshinskii-Moriya interaction in ultrathin yttrium iron garnet films,"Spin waves can probe the Dzyaloshinskii-Moriya interaction (DMI) which gives rise to topological spin textures, such as skyrmions. However, the DMI has not yet been reported in yttrium iron garnet (YIG) with arguably the lowest damping for spin waves. In this work, we experimentally evidence the interfacial DMI in a 7~nm-thick YIG film by measuring the nonreciprocal spin wave propagation in terms of frequency, amplitude and most importantly group velocities using all electrical spin-wave spectroscopy. The velocities of propagating spin waves show chirality among three vectors, i.e. the film normal direction, applied field and spin-wave wavevector. By measuring the asymmetric group velocities, we extract a DMI constant of 16~$\mu$J/m$^{2}$ which we independently confirm by Brillouin light scattering. Thickness-dependent measurements reveal that the DMI originates from the oxide interface between the YIG and garnet substrate. The interfacial DMI discovered in the ultrathin YIG films is of key importance for functional chiral magnonics as ultra-low spin-wave damping can be achieved.",1910.02599v2 2020-12-01,Magnon hybridization in ferrimagnetic heterostructures,"We study magnon hybridization in a ferrimagnetic heterostructure consisting of ultrathin gadolinium iron garnet and yttrium iron garnet layers and show the localized and extended spatial profiles of the magnon modes with different polarizations. These modes are expected to have distinct thermal excitation properties in the presence of a temperature gradient across the heterostructure. From a quantitative analysis of their consequences on longitudinal spin Seebeck effect, we predict an observable shift of the sign-changing temperature with respect to the one previously observed in gadolinium iron garnet. Moreover, the sign-changing point of spin Seebeck signal is found to be tunable by YIG thickness. Our results suggest the necessity of taking into account the temperature difference between the magnon modes in ferrimagnetic heterostructures.",2012.00576v1 2008-10-15,Magnetic susceptibility and magnetization fluctuation measurements of mixed Gadolinium-Yttrium Iron Garnets,"We study the magnetic properties of Gadolinium-Yttrium Iron Garnet ($\text{Gd}_{x}\text{Y}_{3-x}\text{Fe}_5\text{0}_{12}$, $x=3,1.8$) ferrite ceramics. The complex initial permeability is measured in the temperature range 2 K to 295 K at frequency of 1 kHz, and in the frequency range 100 Hz to 200 MHz at temperatures 4 K, 77 K, and 295 K. The magnetic viscosity-induced imaginary part of the permeability is observed at low frequencies. Measurements of the magnetization noise are made at 4 K. Using the fluctuation-dissipation theorem, we find that the observed magnetization fluctuations are consistent with our measurements of the low-frequency imaginary part of permeability. We discuss some implications for proposed precision measurements as well as other possible applications.",0810.2770v1 2012-08-03,Field-dependence of magnon decay in yttrium iron garnet thin films,"We discuss threshold field-dependence of the decay rate of the uniform magnon mode in yttrium iron garnet (YIG) thin films. We demonstrate that decays must cease to exist in YIG films of thickness less than 1 \mu m, the lengthscale defined by the exchange length. We show that due to the symmetry of the three-magnon coupling the decay rate is linear in \Delta H=(Hc-H) in the vicinity of the threshold field Hc instead of the step-like \Gamma \Theta(\Delta H) expected from the two-dimensional character of magnon excitations in such films. For thicker films, the decay rate should exhibit multiple steps due to thresholds for decays into a sequence of the two-dimensional magnon bands. For yet thicker films, such thresholds merge and crossover to the three-dimensional single-mode behavior: \Gamma |\Delta H|^{3/2}.",1208.0831v1 2013-01-15,Spin-Hall Magnetoresistance in Platinum on Yttrium Iron Garnet: Dependence on platinum thickness and in-plane/out-of-plane magnetization,"The occurrence of Spin-Hall Magnetoresistance (SMR) in platinum (Pt) on top of yttrium iron garnet (YIG) has been investigated, for both in-plane and out-of-plane applied magnetic fields and for different Pt thicknesses [3, 4, 8 and 35nm]. Our experiments show that the SMR signal directly depends on the in-plane and out-of-plane magnetization directions of the YIG. This confirms the theoretical description, where the SMR occurs due to the interplay of spin-orbit interaction in the Pt and spin-mixing at the YIG/Pt interface. Additionally, the sensitivity of the SMR and spin pumping signals on the YIG/Pt interface conditions is shown by comparing two different deposition techniques (e-beam evaporation and dc sputtering).",1301.3266v2 2013-02-27,Optimization of the yttrium iron garnet/platinum interface for spin pumping-based applications,"The dependence of the spin pumping efficiency and the spin mixing conductance on the surface processing of yttrium iron garnet (YIG) before the platinum (Pt) deposition has been investigated quantitatively. The ferromagnetic resonance driven spin pumping injects a spin polarized current into the Pt layer, which is transformed into an electromotive force by the inverse spin Hall effect. Our experiments show that the spin pumping effect indeed strongly depends on the YIG/Pt interface condition. We measure an enhancement of the inverse spin Hall voltage and the spin mixing conductance of more than two orders of magnitude with improved sample preparation.",1302.6697v1 2013-11-25,Spin-wave excitation and propagation in microstructured waveguides of yttrium iron garnet (YIG)/Pt bilayers,"We present an experimental study of spin-wave excitation and propagation in microstructured waveguides patterned from a 100 nm thick yttrium iron garnet (YIG)/platinum (Pt) bilayer. The life time of the spin waves is found to be more than an order of magnitude higher than in comparably sized metallic structures despite the fact that the Pt capping enhances the Gilbert damping. Utilizing microfocus Brillouin light scattering spectroscopy, we reveal the spin-wave mode structure for different excitation frequencies. An exponential spin-wave amplitude decay length of 31 {\mu}m is observed which is a significant step towards low damping, insulator based micro-magnonics.",1311.6305v1 2014-10-02,Simultaneous detection of the spin-Hall magnetoresistance and the spin-Seebeck effect in Platinum and Tantalum on Yttrium Iron Garnet,"The spin-Seebeck effect (SSE) in platinum (Pt) and tantalum (Ta) on yttrium iron garnet (YIG) has been investigated by both externally heating the sample (using an on-chip Pt heater on top of the device) as well as by current-induced heating. For SSE measurements, external heating is the most common method to obtain clear signals. Here we show that also by current-induced heating it is possible to directly observe the SSE, separate from the also present spin-Hall magnetoresistance (SMR) signal, by using a lock-in detection technique. Using this measurement technique, the presence of additional 2nd order signals at low applied magnetic fields and high heating currents is revealed. These signals are caused by current-induced magnetic fields (Oersted fields) generated by the used AC-current, resulting in dynamic SMR signals.",1410.0551v2 2015-07-07,Rayleigh-Jeans condensation of pumped magnons in thin film ferromagnets,"We show that the formation of a magnon condensate in thin ferromagnetic films can be explained within the framework of a classical stochastic non-Markovian Landau-Lifshitz-Gilbert equation where the properties of the random magnetic field and the dissipation are determined by the underlying phonon dynamics. We have numerically solved this equation for a tangentially magnetized yttrium-iron garnet film in the presence of a parallel parametric pumping field. We obtain a complete description of all stages of the nonequilibrium time evolution of the magnon gas which is in excellent agreement with experiments. Our calculation proves that the experimentally observed condensation of magnons in yttrium-iron garnet at room temperature is a purely classical phenomenon which should be called Rayleigh-Jeans rather than Bose-Einstein condensation.",1507.01717v2 2016-02-04,Investigation of the unidirectional spin heat conveyer effect in a 200nm thin Yttrium Iron Garnet film,"We have investigated the unidirectional spin wave heat conveyer effect in sub-micron thick yttrium iron garnet (YIG) films using lock-in thermography (LIT). Although the effect is small in thin layers this technique allows us to observe asymmetric heat transport by magnons which leads to asymmetric temperature profiles differing by several mK on both sides of the exciting antenna, respectively. Comparison of Damon-Eshbach and backward volume modes shows that the unidirectional heat flow is indeed due to non-reciprocal spin-waves. Because of the finite linewidth, small asymmetries can still be observed when only the uniform mode of ferromagnetic resonance is excited. The latter is of extreme importance for example when measuring the inverse spin-Hall effect because the temperature differences can result in thermovoltages at the contacts. Because of the non-reciprocity these thermovoltages reverse their sign with a reversal of the magnetic field which is typically deemed the signature of the inverse spin-Hall voltage.",1602.01662v1 2016-12-07,Gilbert damping of magnetostatic modes in a yttrium iron garnet sphere,"The magnetostatic mode (MSM) spectrum of a 300$\mu$m diameter single crystalline sphere of yttrium iron garnet is investigated using broadband ferromagnetic resonance (FMR). The individual MSMs are identified via their characteristic dispersion relations and the corresponding mode number tuples $(nmr)$ are assigned. Taking FMR data over a broad frequency and magnetic field range allows to analyze both the Gilbert damping parameter~$\alpha$ and the inhomogeneous line broadening contribution to the total linewidth of the MSMs separately. The linewidth analysis shows that all MSMs share the same Gilbert damping parameter $\alpha=2.7(5) \times 10^{-5}$ irrespective of their mode index. In contrast, the inhomogeneous line broadening shows a pronounced mode dependence. This observation is modeled in terms of two-magnon scattering processes of the MSMs into the spin-wave manifold, mediated by surface and volume defects.",1612.02360v1 2016-12-31,First-Principles Study of Exchange Interactions of Yttrium Iron Garnet,"Yttrium Iron Garnet is the ubiquitous magnetic insulator used for studying pure spin currents. The exchange constants reported in the literature vary considerably between different experiments and fitting procedures. Here we calculate them from first-principles. The local Coulomb correction (U - J) of density functional theory is chosen such that the parameterized spin model reproduces the experimental Curie temperature and a large electronic band gap, ensuring an insulating phase. The magnon spectrum calculated with our parameters agrees reasonably well with that measured by neutron scattering. A residual disagreement about the frequencies of optical modes indicates the limits of the present methodology.",1701.00110v1 2017-01-03,Magnetic control of Goos-Hanchen shifts in a yttrium-iron-garnet film,"We investigate the Goos-Hanchen (G-H) shifts reflected and transmitted by a yttrium-iron-garnet (YIG) film for both normal and oblique incidence. It is found that the nonreciprocity effect of the MO material does not only result in a nonvanishing reflected shift at normal incidence, but also leads to a slab-thickness-independent term which breaks the symmetry between the reflected and transmitted shifts at oblique incidence. The asymptotic behaviors of the normal-incidence reflected shift are obtained in the vicinity of two characteristic frequencies corresponding to a minimum reflectivity and a total reflection, respectively. Moreover, the coexistence of two types of negative-reflected-shift (NRS) at oblique incidence is discussed. We show that the reversal of the shifts from positive to negative values can be realized by tuning the magnitude of applied magnetic field, the frequency of incident wave and the slab thickness as well as the incident angle. In addition, we further investigate two special cases for practical purposes: the reflected shift with a total reflection and the transmitted shift with a total transmission. Numerical simulations are also performed to verify our analytical results.",1701.01462v2 2017-01-31,Lateral transport properties of thermally excited magnons in yttrium iron garnet films,"Spin information carried by magnons is attractive for computing technology and the development of magnon-based computing circuits is of great interest. However, magnon transport in insulators has been challenging, different from the clear physical picture for spin transport in conductors. Here we investigate the lateral transport properties of thermally excited magnons in yttrium iron garnet (YIG), a model magnetic insulator. Polarity reversals of detected spins in non-local geometry devices have been experimentally observed and are strongly dependent on temperature, YIG film thickness, and injector-detector separation distance. A competing two-channel transport model for thermally excited magnons is proposed, which is qualitatively consistent with the spin signal behavior. In addition to the fundamental significance for thermal magnon transport, our work furthers the development of magnonics by creating an easily accessible magnon source with controllable transport",1701.08932v1 2017-05-18,The Final Chapter In The Saga Of YIG,"The magnetic insulator Yttrium Iron Garnet can be grown with exceptional quality, has a ferrimagnetic transition temperature of nearly 600 K, and is used in microwave and spintronic devices that can operate at room temperature. The most accurate prior measurements of the magnon spectrum date back nearly 40 years, but cover only 3 of the lowest energy modes out of 20 distinct magnon branches. Here we have used time-of-flight inelastic neutron scattering to measure the full magnon spectrum throughout the Brillouin zone. We find that the existing model of the excitation spectrum, well known from an earlier work titled ""The Saga of YIG"", fails to describe the optical magnon modes. Using a very general spin Hamiltonian, we show that the magnetic interactions are both longer-ranged and more complex than was previously understood. The results provide the basis for accurate microscopic models of the finite temperature magnetic properties of Yttrium Iron Garnet, necessary for next-generation electronic devices.",1705.06594v1 2017-09-12,Direct observation of magnon-phonon coupling in yttrium iron garnet,"The magnetic insulator yttrium iron garnet (YIG) with a ferrimagnetic transition temperature of $\sim$560 K has been widely used in microwave and spintronic devices. Anomalous features in the spin Seeback effect (SSE) voltages have been observed in Pt/YIG and attributed to the magnon-phonon coupling. Here we use inelastic neutron scattering to map out low-energy spin waves and acoustic phonons of YIG at 100 K as a function of increasing magnetic field. By comparing the zero and 9.1 T data, we find that instead of splitting and opening up gaps at the spin wave and acoustic phonon dispersion intersecting points, magnon-phonon coupling in YIG enhances the hybridized scattering intensity. These results are different from expectations of conventional spin-lattice coupling, calling for new paradigms to understand the scattering process of magnon-phonon interactions and the resulting magnon-polarons.",1709.03940v1 2018-10-11,"Propagating spin waves in nanometer-thick yttrium iron garnet films: Dependence on wave vector, magnetic field strength and angle","We present a comprehensive investigation of propagating spin waves in nanometer-thick yttrium iron garnet (YIG) films. We use broadband spin-wave spectroscopy with integrated coplanar waveguides (CPWs) and microstrip antennas on top of continuous and patterned YIG films to characterize spin waves with wave vectors up to 10 rad/$\mu$m. All films are grown by pulsed laser deposition. From spin-wave transmission spectra, parameters such as the Gilbert damping constant, spin-wave dispersion relation, group velocity, relaxation time, and decay length are derived and their dependence on magnetic bias field strength and angle is systematically gauged. For a 40-nm-thick YIG film, we obtain a damping constant of $3.5 \times 10^{-4}$ and a maximum decay length of 1.2 mm. Our experiments reveal a strong variation of spin-wave parameters with magnetic bias field and wave vector. Spin-wave properties change considerably up to a magnetic bias field of about 30 mT and above a field angle of $\theta_{H} = 20^{\circ}$, where $\theta_{H} = 0^{\circ}$ corresponds to the Damon-Eshbach configuration.",1810.04973v1 2020-09-26,Bose condensation and spin superfluidity of magnons in a perpendicularly magnetized film of yttrium iron garnet,"The formation of a Bose condensate of magnons in a perpendicularly magnetized film of yttrium iron garnet under radio-frequency pumping in a strip line is studied experimentally. The characteristics of nonlinear magnetic resonance and the spatial distribution of the Bose condensate of magnons in the magnetic field gradient are investigated. In these experiments, the Bosonic system of magnons behaves similarly to the Bose condensate of magnons in the antiferromagnetic superfluid 3He-B, which was studied in detail earlier. Magnonic BEC forms a coherently precessing state with the properties of magnonic superfluidity. Its stability is determined by the repulsive potential between excited magnons, which compensates for the inhomogeneity of the magnetic field.",2009.12595v1 2020-12-17,Magnetic equivalent of electric superradiance: radiative damping in yttrium-iron-garnet films,"A dense system of independent oscillators, connected only by their interaction with the same cavity excitation mode, will radiate coherently, which effect is termed superradiance. In several cases, especially if the density of oscillators is high, the superradiance may dominate the intrinsic relaxation processes. This limit can be achieved, e.g., with cyclotron resonance in two-dimensional electron gases. In those experiments, the cyclotron resonance is coupled to the electric field of light, while the oscillator density can be easily controlled by varying the gate voltage. However, in the case of magnetic oscillators, to achieve the dominance of superradiance is more tricky, as material parameters limit the oscillator density, and the magnetic coupling to the light wave is rather small. Here we present quasi-optical magnetic resonance experiments on thin films of yttrium iron garnet. Due to the simplicity of experimental geometry, the intrinsic damping and the superradiance can be easily separated in the transmission spectra. We show that with increasing film thickness, the losses due to coherent radiation prevail the system's internal broadening.",2012.09440v1 2021-03-16,Spin-Phonon Interaction in Yttrium Iron Garnet,"Spin-phonon interaction is an important channel for spin and energy relaxation in magnetic insulators. Understanding this interaction is critical for developing magnetic insulator-based spintronic devices. Quantifying this interaction in yttrium iron garnet (YIG), one of the most extensively investigated magnetic insulators, remains challenging because of the large number of atoms in a unit cell. Here, we report temperature-dependent and polarization-resolved Raman measurements in a YIG bulk crystal. We first classify the phonon modes based on their symmetry. We then develop a modified mean-field theory and define a symmetry-adapted parameter to quantify spin-phonon interaction in a phonon-mode specific way for the first time in YIG. Based on this improved mean-field theory, we discover a positive correlation between the spin-phonon interaction strength and the phonon frequency.",2103.09038v1 2022-02-07,Spin-transfer-assisted parametric pumping of magnons in yttrium iron garnet,"The combination of parametric pumping and spin-transfer torque is a powerful approach that enables high-level control over magnetic excitations in thin-film ferromagnets. The excitation parameters, such as pumping power and external field strength, affect the instabilities of individual magnon modes. We theoretically explore how the simultaneous effects of parametric pumping and spin transfer torque influence these magnetic instabilities in a thin-film ferromagnet. Within the Landau-Lifshitz-Gilbert framework, we perform micromagnetic simulations of magnon excitations in yttrium iron garnet by pumping, spin transfer torque, and a combination of the two. We find that consistent with experimental results, the magnitude and direction of the spin-transfer torque tune the parametric instability thresholds.",2202.03247v2 2022-08-23,Reversal of nanomagnets by propagating magnons in ferrimagnetic yttrium iron garnet enabling nonvolatile magnon memory,"Despite the unprecedented downscaling of CMOS integrated circuits, memory-intensive machine learning and artificial intelligence applications are limited by data conversion between memory and processor. There is a challenging quest for novel approaches to overcome this so-called von Neumann bottleneck. Magnons are the quanta of spin waves and transport angular momenta through magnets. They enable power-efficient computation without charge flow and would solve the conversion problem if spin wave amplitudes could be stored directly in a magnetic memory cell. Here, we report the reversal of ferromagnetic nanostripes by spin waves which propagate through an underlying spin-wave bus made from yttrium iron garnet. Thereby, the charge-free angular momentum flow is stored after transmission over a macroscopic distance. We show that spin waves can reverse large arrays of ferromagnetic stripes at a strikingly small power level of nW. Combined with the already existing wave logic, our discovery is path-breaking for the new era of magnonics-based in-memory computation and beyond von Neumann computer architectures.",2208.10923v1 2023-06-24,Ferromagnetic levitation and harmonic trapping of a milligram-scale Yttrium Iron Garnet sphere,"We report passive magnetic levitation and three-dimensional harmonic trapping of a 0.3 milligram, 0.5 millimeter diameter Yttrium Iron Garnet sphere at 4 K. The gradient of an external magnetic field is used for vertical trapping, while the finite size effect of the diamagnetic effect is used for horizontal trapping. The dynamics of the levitated sphere was optically measured to have trapping frequencies of up to around 600 Hz and mechanical $Q$-factors in the order of $Q \sim 10^3$. These results were quantitatively reproduced by three-dimensional finite element method simulations. Our results can provide a novel system where magnetism, rigid body motions, microwaves, and optics interact.",2306.13917v2 2023-12-14,Magnetization Reversal of 50-nm-wide Ni81Fe19 Nanostripes by Ultrashort Magnons in Yttrium Iron Garnet for Memory-Enhanced Magnonic Circuits,"Spin waves (magnons) can enable wave-based neuromorphic computing by which one aims at overcoming limitations inherent to conventional electronics and the von Neumann architecture. In this study, we explore the storage of magnon signals and the magnetization switching of periodic and aperiodic arrays of Ni81Fe19 (Py) nanostripes with widths (w) between 50 nm and 200 nm. Spin waves excited with low microwave power in yttrium iron garnet induce the reversal of the nanostripes of different w in a small opposing field. Exploiting microwave-to-magnon transducers for magnon modes with ultrashort wavelengths, we demonstrate the reversal of 50-nm-wide Py nanostripes by magnons with wavelength ~ 100 nm after they have propagated over 25 micrometer in YIG. The findings are important for designing a magnon-based in-memory computing device.",2312.09177v1 2024-02-07,Broadband squeezed light field by magnetostriction in an opto-magnomechanical,"We present a novel mechanism for generating a wide bandwidth squeezed optical output field in an opto-magnomechanical system. In this system, the magnon (mechanical) mode in the yttrium-iron-garnet crystal is coupled to the microwave field (optical field) through magnetic dipole (radiation pressure) interaction. The magnetostrictive force induced by the yttrium-iron-garnet crystal causes a mechanical displacement and creates a quadrature squeezed magnon mode. Eventually, this quadrature squeezed mechanical mode is transferred to the output optical field through state-swap interaction. Our results demonstrate the optimal parameter range for obtaining a stable squeezed optical output field with a wide bandwidth. Moreover, the squeezed light field exhibits strong robustness to environmental temperature. The new scheme we propose has potential applications in quantum precision measurements, quantum wireless networks, quantum radar, etc.",2402.04983v1 2009-03-17,Microscopic spin-wave theory for yttrium-iron garnet films,"Motivated by recent experiments on thin films of the ferromagnetic insulator yttrium-iron garnet (YIG), we have developed an efficient microscopic approach to calculate the spin-wave spectra of these systems. We model the experimentally relevant magnon band of YIG using an effective quantum Heisenberg model on a cubic lattice with ferromagnetic nearest neighbor exchange and long-range dipole-dipole interactions. After a bosonization of the spin degrees of freedom via a Holstein-Primakoff transformation and a truncation at quadratic order in the bosons, we obtain the spin-wave spectra for experimentally relevant parameters without further approximation by numerical diagonalization, using efficient Ewald summation techniques to carry out the dipolar sums. We compare our numerical results with two different analytic approximations and with predictions based on the phenomenological Landau-Lifshitz equation.",0903.2847v2 2012-06-28,Thermalization of magnons in yttrium-iron garnet: nonequilibrium functional renormalization group approach,"Using a nonequilibrium functional renormalization group (FRG) approach we calculate the time evolution of the momentum distribution of a magnon gas in contact with a thermal phonon bath. As a cutoff for the FRG procedure we use a hybridization parameter {\Lambda} giving rise to an artificial damping of the phonons. Within our truncation of the FRG flow equations the time evolution of the magnon distribution is obtained from a rate equation involving cutoff-dependent nonequilibrium self-energies, which in turn satisfy FRG flow equations depending on cutoff-dependent transition rates. Our approach goes beyond the Born collision approximation and takes the feedback of the magnons on the phonons into account. We use our method to calculate the thermalization of a quasi two-dimensional magnon gas in the magnetic insulator yttrium-iron garnet after a highly excited initial state has been generated by an external microwave field. We obtain good agreement with recent experiments.",1206.6689v3 2013-02-25,Phase Diagram for Magnon Condensate in Yttrium Iron Garnet Film,"Recently, magnons, which are quasiparticles describing the collective motion of spins, were found to undergo Bose-Einstein condensation (BEC) at room temperature in films of Yttrium Iron Garnet (YIG). Unlike other quasiparticle BEC systems, this system has a spectrum with two degenerate minima, which makes it possible for the system to have two condensates in momentum space. Recent Brillouin Light scattering studies for a microwave-pumped YIG film of thickness d=5 $\mu$m and field H=1 kOe find a low-contrast interference pattern at the characteristic wavevector $Q$ of the magnon energy minimum. In this report, we show that this modulation pattern can be quantitatively explained as due to non-symmetric but coherent Bose-Einstein condensation of magnons into the two energy minima. Our theory predicts a transition from a high-contrast symmetric phase to a low-contrast non-symmetric phase on varying the $d$ and $H$, and a new type of collective oscillations.",1302.6128v1 2013-02-27,Specific heat and thermal conductivity of ferromagnetic magnons in Yttrium Iron Garnet,"The specific heat and thermal conductivity of the insulating ferrimagnet Y$_3$Fe$_5$O$_{12}$ (Yttrium Iron Garnet, YIG) single crystal were measured down to 50 mK. The ferromagnetic magnon specific heat $C$$_m$ shows a characteristic $T^{1.5}$ dependence down to 0.77 K. Below 0.77 K, a downward deviation is observed, which is attributed to the magnetic dipole-dipole interaction with typical magnitude of 10$^{-4}$ eV. The ferromagnetic magnon thermal conductivity $\kappa_m$ does not show the characteristic $T^2$ dependence below 0.8 K. To fit the $\kappa_m$ data, both magnetic defect scattering effect and dipole-dipole interaction are taken into account. These results complete our understanding of the thermodynamic and thermal transport properties of the low-lying ferromagnetic magnons.",1302.6739v1 2013-06-18,"Magnon, phonon and electron temperature profiles and the spin Seebeck effect in magnetic insulator/normal metal hybrid structures","We calculate the phonon, electron and magnon temperature profiles in yttrium iron garnet/platinum bilayers by diffusive theory with appropriate boundary conditions, in particular taking into account interfacial thermal resistances. Our calculations show that in thin film hybrids, the interface magnetic heat conductance qualitatively affects the magnon temperature. Based on published material parameters we assess the degree of non-equilibrium at the yttrium iron garnet/platinum interface. The magnitude of the spin Seebeck effect derived from this approach compares well with experimental results for the longitudinal spin Seebeck effect. Additionally we address the temperature profiles in the transverse spin Seebeck effect.",1306.4292v2 2014-04-14,Sign of inverse spin Hall voltages generated by ferromagnetic resonance and temperature gradients in yttrium iron garnet|platinum bilayers,"We carried out a concerted effort to determine the absolute sign of the inverse spin Hall effect voltage generated by spin currents injected into a normal metal. We focus on yttrium iron garnet (YIG)|platinum bilayers at room temperature, generating spin currents by microwaves and temperature gradients. We find consistent results for different samples and measurement setups that agree with theory. We suggest a right-hand-rule to define a positive spin Hall angle corresponding to with the voltage expected for the simple case of scattering of free electrons from repulsive Coulomb charges.",1404.3490v2 2014-12-12,Spin waves in micro-structured yttrium iron garnet nanometer-thick films,"We investigated the spin-wave propagation in a micro-structured yttrium iron garnet waveguide of $40$ nm thickness. Utilizing spatially-resolved Brillouin light scattering microscopy, an exponential decay of the spin-wave amplitude of $(10.06 \pm 0.83)$ $\mu$m was observed. This leads to an estimated Gilbert damping constant of $\alpha=(8.79\pm 0.73)\times 10^{-4}$, which is larger than damping values obtained through ferromagnetic resonance measurements in unstructured films. The theoretically calculated spatial interference of waveguide modes was compared to the spin-wave pattern observed experimentally by means of Brillouin light scattering spectroscopy.",1412.4032v1 2015-02-24,High Quality Yttrium Iron Garnet Grown by Room Temperature Pulsed Laser Deposition and Subsequent Annealing,"We have investigated recrystallization of amorphous Yttrium Iron Garnet (YIG) by annealing in oxygen atmosphere. Our findings show that well below the melting temperature the material transforms into a fully epitaxial layer with exceptional quality, both structural and magnetic.\\ In ferromagnetic resonance (FMR) ultra low damping and extremely narrow linewidth can be observed. For a 56 nm thick layer a damping constant of $\alpha$=(6.63$\pm$1.50)$\cdot$10$^{-5}$ is found and the linewidth at 9.6 GHz is as small as 1.30$\pm$0.05 Oe which are the lowest values for PLD grown thin films reported so far. Even for a 20 nm thick layer a damping constant of $\alpha$=(7.51$\pm$1.40)$\cdot$10$^{-5}$ is found which is the lowest value for ultrathin films published so far. The FMR linewidth in this case is 3.49$\pm$0.10 Oe at 9.6 GHz. Our results not only present a method of depositing thin film YIG of unprecedented quality but also open up new options for the fabrication of thin film complex oxides or even other crystalline materials.",1502.06724v2 2015-04-03,The effect of the magnon dispersion on the longitudinal spin Seebeck effect in yttrium iron garnets (YIG),"We study the temperature dependence of the longitudinal spin-Seebeck effect (LSSE) in a yttrium iron garnet Y3Fe5O12 (YIG) / Pt system for samples of different thicknesses. In this system, the thermal spin torque is magnon-driven. The LSSE signal peaks at a specific temperature that depends on the YIG sample thickness. We also observe freeze-out of the LSSE signal at high magnetic fields, which we attribute to the opening of an energy gap in the magnon dispersion. We observe partial freeze-out of the LSSE signal even at room temperature, where kBT is much larger than the gap. This suggests that a subset of the magnon population with an energy below kB x TC (TC about 40 K) contribute disproportionately to the LSSE; at temperatures below TC, we label these magnons subthermal magnons. The T-dependence of the LSSE at temperatures below the maximum is interpreted in terms of a new empirical model that ascribes most of the temperature dependence to that of the thermally driven magnon flux.",1504.00895v1 2015-12-04,Magnetic field dependence of the magnon spin diffusion length in the magnetic insulator yttrium iron garnet,"We investigated the effect of an external magnetic field on the diffusive spin transport by magnons in the magnetic insulator yttrium iron garnet (YIG), using a non-local magnon transport measurement geometry. We observed a decrease in magnon spin diffusion length $\lambda_m$ for increasing field strengths, where $\lambda_m$ is reduced from 9.6$\pm1.2$ $\mu$m at 10 mT to 4.2$\pm0.6$ $\mu$m at 3.5 T at room temperature. In addition, we find that there must be at least one additional transport parameter that depends on the external magnetic field. Our results do not allow us to unambiguously determine whether this is the magnon equilibrium density or the magnon diffusion constant. These results are significant for experiments in the more conventional longitudinal spin Seebeck geometry, since the magnon spin diffusion length sets the length scale for the spin Seebeck effect as well and is relevant for its understanding.",1512.01410v1 2016-01-27,Observation of magnon-mediated current drag in Pt/yttrium iron garnet/Pt(Ta) trilayers,"Pure spin current, a flow of spin angular momentum without flow of any companying net charge, is generated in two common ways. One makes use of the spin Hall effect in normal metals (NM) with strong spin-orbit coupling, such as Pt or Ta. The other utilizes the collective motion of magnetic moments or spin waves with the quasi-particle excitations called magnons. A popular material for the latter is yttrium iron garnet, a magnetic insulator (MI). Here we demonstrate in NM/MI/NM trilayers that these two types of spin currents are interconvertible across the interfaces, predicated as the magnon-mediated current drag phenomenon. The transmitted signal scales linearly with the driving current without a threshold and follows the power-law with n ranging from 1.5 to 2.5. Our results indicate that the NM/MI/NM trilayer structure can serve as a scalable pure spin current valve device which is an essential ingredient in spintronics.",1601.07429v1 2016-03-31,Enhanced spin Seebeck effect signal due to spin-momentum locked topological surface states,"Spin-momentum locking in protected surface states enables efficient electrical detection of magnon decay at a magnetic-insulator/topological-insulator heterojunction. Here we demonstrate this property using the spin Seebeck effect, i.e. measuring the transverse thermoelectric response to a temperature gradient across a thin film of yttrium iron garnet, an insulating ferrimagnet, and forming a heterojunction with (BixSb1-x)2Te3, a topological insulator. The non-equilibrium magnon population established at the interface can decay in part by interactions of magnons with electrons near the Fermi energy of the topological insulator. When this decay channel is made active by tuning (BixSb1-x)2Te3 to a bulk insulator, a large electromotive force emerges in the direction perpendicular to the in-plane magnetization of yttrium iron garnet. The enhanced, tunable spin Seebeck effect which occurs when the Fermi level lies in the bulk gap offers unique advantages over the usual spin Seebeck effect in metals and therefore opens up exciting possibilities in spintronics.",1603.09427v1 2016-08-03,Influence of yttrium iron garnet thickness and heater opacity on the nonlocal transport of electrically and thermally excited magnons,"We studied the nonlocal transport behavior of both electrically and thermally excited magnons in yttrium iron garnet (YIG) as a function of its thickness. For electrically injected magnons, the nonlocal signals decrease monotonically as the YIG thickness increases. For the nonlocal behavior of the thermally generated magnons, or the nonlocal spin Seebeck effect (SSE), we observed a sign reversal which occurs at a certain heater-detector distance, and it is influenced by both the opacity of the YIG/heater interface and the YIG thickness. Our nonlocal SSE results can be qualitatively explained by the bulk-driven SSE mechanism together with the magnon diffusion model. Using a two-dimensional finite element model (2D-FEM), we estimated the bulk spin Seebeck coefficient of YIG at room temperature. The quantitative disagreement between the experimental and modeled results indicates more complex processes going on in addition to magnon diffusion and relaxation, especially close to the contacts.",1608.01178v1 2016-12-06,Increased low-temperature damping in yttrium iron garnet thin films,"We report measurements of the frequency and temperature dependence of ferromagnetic resonance (FMR) for a 15-nm-thick yttrium iron garnet (YIG) film grown by off-axis sputtering. Although the FMR linewidth is narrow at room temperature (corresponding to a damping coefficient $\alpha$ = (9.0 $\pm$ 0.2) $\times 10^{-4}$), comparable to previous results for high-quality YIG films of similar thickness, the linewidth increases strongly at low temperatures, by a factor of almost 30. This increase cannot be explained as due to two-magnon scattering from defects at the sample interfaces. We argue that the increased low-temperature linewidth is due to impurity relaxation mechanisms that have been investigated previously in bulk YIG samples. We suggest that the low-temperature linewidth is a useful figure of merit to guide the optimization of thin-film growth protocols because it is a particularly sensitive indicator of impurities.",1612.01954v1 2017-03-16,Optical properties of a four-layer waveguiding nanocomposite structure in near-IR regime,"The theoretical study of the optical properties of TE- and TM- modes in a four-layer structure composed of the magneto-optical yttrium iron garnet guiding layer on a dielectric substrate covered by planar nanocomposite guiding multilayer is presented. The dispersion equation is obtained taking into account the bigyrotropic properties of yttrium-iron garnet, and an original algorithm for the guided modes identification is proposed. The dispersion spectra are analyzed and the energy flux distributions across the structure are calculated. The fourfold difference between the partial power fluxes within the waveguide layers is achieved in the wavelength range of 200 nm.",1703.05711v1 2017-03-28,Temperature dependent magnetic damping of yttrium iron garnet spheres,"We investigate the temperature dependent microwave absorption spectrum of an yttrium iron garnet sphere as a function of temperature (5 K to 300 K) and frequency (3 GHz to 43.5 GHz). At temperatures above 100 K, the magnetic resonance linewidth increases linearly with temperature and shows a Gilbert-like linear frequency dependence. At lower temperatures, the temperature dependence of the resonance linewidth at constant external magnetic fields exhibits a characteristic peak which coincides with a non-Gilbert-like frequency dependence. The complete temperature and frequency evolution of the linewidth can be modeled by the phenomenology of slowly relaxing rare-earth impurities and either the Kasuya-LeCraw mechanism or the scattering with optical magnons. Furthermore, we extract the temperature dependence of the saturation magnetization, the magnetic anisotropy and the g-factor.",1703.09444v2 2017-04-28,Thermal Control of the Magnon-Photon Coupling in a Notch Filter coupled to a Yttrium-Iron-Garnet/Platinum System,"We report thermal control of mode hybridization between the ferromagnetic resonance (FMR) and a planar resonator (notch filter) working at 4.74 GHz. The chosen magnetic material is a ferrimagnetic insulator (Yttrium Iron Garnet: YIG) covered by 6 nm of platinum (Pt). A current induced heating method has been used in order to enhance the temperature of the YIG/Pt system. The device permits us to control the transmission spectra and the magnon-photon coupling strength at room temperature. These experimental findings reveal potentially applicable tunable microwave filtering function.",1704.08896v3 2017-10-07,Magnon-phonon relaxation in yttrium iron garnet from first principles,"We combine the theoretical method of calculating spin wave excitation with the finite-temperature modeling and calculate the magnon-phonon relaxation time in the technologically important material Yttrium iron garnet (YIG) from first principles. The finite lifetime of magnon excitation is found to arise from the fluctuation of the exchange interaction of magnetic atoms in YIG. At room temperature, the magnon spectra have significant broadening that is used to extract the magnon-phonon relaxation time quantitatively. The latter is a phenomenological parameter of great importance in YIG-based spintronics research. We find that the magnon-phonon relaxation time for the optical magnon is a constant while that for the acoustic magnon is proportional to $1/k^2$ in the long-wavelength regime.",1710.02647v1 2018-03-13,Spin wave localization and guiding by magnon band structure engineering in yttrium iron garnet,"In spintronics the propagation of spin-wave excitations in magnetically ordered materials can also be used to transport and process information. One of the most popular materials in this regard is the ferrimagnetic insulator yttrium-iron-garnet due its exceptionally small spin-wave damping parameter. While the small relaxation rate allows for large propagation length of magnetic excitations, it also leads to non-locality of the magnetic properties. By imaging spin waves their band structure is mapped. In doing so wave vector selection is shown to suppress dispersion effects to a large extent allowing for local measurements of spin relaxation. Moreover we demonstrate even higher control of magnon propagation by employing the wave vector selectivity near an avoided crossing of different spin-wave modes where the group velocity approaches zero. Here local engineering of the dispersion allows constructing magnonic waveguides and at the same time reveals the local relaxation properties.",1803.04943v3 2019-03-03,Four-layer nanocomposite structure as an effective optical waveguide switcher for near-IR regime,"We present a theoretical study of the dispersion and energy properties of the eigenwaves (TE- and TM- modes) in a four-layer structure composed of a magneto-optical yttrium iron garnet guiding layer on a dielectric substrate covered by a planar nanocomposite guiding multilayer. The bigyrotropic properties of yttrium-iron garnet are taken into account for obtaining the dispersion equation and an original algorithm for the guided modes identification is proposed. We demonstrated the polarization switching of TE- and TM-modes dependent on the geometrical parameters of the guiding layers. The dispersion diagrams and field profiles are used to illustrate the change of propagation properties with variation of the multilayer thickness ratio of the nanocomposite layers. The energy flux distributions across the structure are calculated and the conditions of the optimal guiding regime are obtained. The power switching ratio in the waveguide layers of about 6 dB for the wavelength range of 100 nm is shown to be achieved.",1903.00854v1 2019-11-12,Parametric generation of propagating spin-waves in ultra thin yttrium iron garnet waveguides,"We present the experimental demonstration of the parallel parametric generation of spin-waves in a microscaled yttrium iron garnet waveguide with nanoscale thickness. Using Brillouin light scattering microscopy, we observe the excitation of the first and second waveguide modes generated by a stripline microwave pumping source. Micromagnetic simulations reveal the wave vector of the parametrically generated spin-waves. Based on analytical calculations, which are in excellent agreement with our experiments and simulations, we prove that the spin-wave radiation losses are the determinative term of the parametric instability threshold in this miniaturized system. The used method enables the direct excitation and amplification of nanometer spin-waves dominated by exchange interactions. Our results pave the way for integrated magnonics based on insulating nano-magnets.",1911.04926v2 2020-04-20,Ultra Thin Films of Yttrium Iron Garnet with Very Low Damping: A Review,"Thin Yttrium Iron Garnet (YIG) is a promising material for integrated magnonics. In order to introduce YIG into nanofabrication processes it is necessary to fabricate very thin YIG films with a thickness well below 100 nm while retaining the extraordinary magnetic properties of the material, especially its long magnon lifetime and spin wave propagation length. Here, we give a brief introduction into the topic and we review and discuss the various results published over the last decade in this area. Especially for ultrathin films it turns out that pulsed layer deposition and sputtering are the most promising candidates. In addition, we discuss the application of room temperature deposition and annealing for lift-off based nanopatterning and the properties of nanostructures obtained by this method over the past years.",2004.09094v1 2020-05-08,Observation of terahertz magnon of Kaplan-Kittel exchange resonance in yttrium-iron garnet by Raman spectroscopy,"Backscattering Raman spectroscopic investigations were performed on an yttrium-iron garnet single crystal using linearly and circularly polarized light. A terahertz (THz) magnon of the Kaplan-Kittel (KK) exchange resonance was discovered, which had been regarded as unobservable via optical methods. The KK exchange resonance had a 7.8-THz frequency at 80 K, and the polarization selection rule led to an antisymmetric Raman tensor of the $A_{2}$ mode. Moreover, the assignment of all the Raman-active phonon modes, $3A_{1g}$, $8E_{g}$, and $14T_{2g}$, was proposed. This study will stimulate further investigation of the coupling of THz magnons and phonons and pave the way toward THz optomagnonics.",2005.03852v2 2021-03-12,Double accumulation and anisotropic transport of magneto-elastic bosons in yttrium iron garnet films,"Interaction between quasiparticles of a different nature, such as magnons and phonons in a magnetic medium, leads to the mixing of their properties and the formation of hybrid states in the areas of intersection of individual spectral branches. We recently reported the discovery of a new phenomenon mediated by the magnon-phonon interaction: the spontaneous bottleneck accumulation of magneto-elastic bosons under electromagnetic pumping of pure magnons into a ferrimagnetic yttrium iron garnet film. Here, by studying the transport properties of the accumulated magneto-elastic bosons, we reveal that such accumulation occurs in two frequency-distant groups of quasiparticles: quasi-phonons and quasi-magnons. They propagate with different speeds in different directions relative to the magnetization field. The theoretical model we propose qualitatively describes the double accumulation effect, and the analysis of the two-dimensional spectrum of quasiparticles in the hybridization region allows us to determine the wavevectors and frequencies of each of the groups.",2103.07338v1 2021-07-12,Origin of Perpendicular Magnetic Anisotropy in Yttrium Iron Garnet Thin Films Grown on Si (100),"We report the magnetic properties of yttrium iron garnet (YIG) thin films grown by pulsed laser deposition technique. The films were deposited on Si (100) substrates in the range of 15-50 nm thickness. Magnetic characterizations were investigated by ferromagnetic resonance spectra. Perpendicular magnetic easy axis was achieved up to 50 nm thickness. We observed that the perpendicular anisotropy values decreased by increasing the film thickness. The origin of the perpendicular magnetic anisotropy (PMA) was attributed to the texture and the lattice distortion in the YIG thin films. We anticipate that perpendicularly magnetized YIG thin films on Si substrates pave the way for a cheaper and compatible fabrication process.",2107.05591v1 2021-12-30,Giant magnon spin conductivity approaching the two-dimensional transport regime in ultrathin yttrium iron garnet films,"Conductivities are key material parameters that govern various types of transport (electronic charge, spin, heat etc.) driven by thermodynamic forces. Magnons, the elementary excitations of the magnetic order, flow under the gradient of a magnon chemical potential in proportion to a magnon (spin) conductivity $\sigma_{m}$. The magnetic insulator yttrium iron garnet (YIG) is the material of choice for efficient magnon spin transport. Here we report an unexpected giant $\sigma_{m}$ in record-thin YIG films with thicknesses down to 3.7 nm when the number of occupied two-dimensional (2D) subbands is reduced from a large number to a few, which corresponds to a transition from 3D to 2D magnon transport. We extract a 2D spin conductivity ($\approx1$ S) at room temperature, comparable to the (electronic) spin conductivity of the high-mobility two-dimensional electron gas in GaAs quantum wells at millikelvin temperatures. Such high conductivities offer unique opportunities to develop low-dissipation magnon-based spintronic devices.",2112.15165v3 2022-01-22,Dissipative generation of significant amount of photon-phonon asymmetric steering in magnomechanical interfaces,"We propose an effective approach for generating significant amount of entanglement and asymmetric steering between photon and phonon in a cavity magnomechanical system which consists of a microwave cavity and a yttrium iron garnet sphere. By driving the magnon mode of the yttrium iron garnet sphere with blue-detuned microwave field, the magnon mode can be acted as an engineered resevoir cools the Bogoliubov modes of microwave cavity mode and mechanical mode via beam-splitter-like interaction. In this way, the microwave cavity mode and mechanical mode are driven to two-mode squeezed states in the stationary limit. In particular, strong two-way and one-way asymmetric quantum steering between the photon and phonon modes can be obtained with even equal dissipation. It is very different from the conventional proposal of asymmetric quantum steering, where additional unbalanced losses or noises on the two subsystems has been imposed. Our finding may be significant to expand our understanding of the essential physics of asymmetric steering and extend the potential application of the cavity spintronics to device-independent quantum key distribution.",2201.08965v1 2023-08-01,Crystallization Dynamics of Amorphous Yttrium Iron Garnet Thin Films,"Yttrium iron garnet (YIG) is a prototypical material in spintronics due to its exceptional magnetic properties. To exploit these properties high quality thin films need to be manufactured. Deposition techniques like sputter deposition or pulsed laser deposition at ambient temperature produce amorphous films, which need a post annealing step to induce crystallization. However, not much is known about the exact dynamics of the formation of crystalline YIG out of the amorphous phase. Here, we conduct extensive time and temperature series to study the crystallization behavior of YIG on various substrates and extract the crystallization velocities as well as the activation energies needed to promote crystallization. We find that the type of crystallization as well as the crystallization velocity depend on the lattice mismatch to the substrate. We compare the crystallization parameters found in literature with our results and find an excellent agreement with our model. Our results allow us to determine the time needed for the formation of a fully crystalline film of arbitrary thickness for any temperature.",2308.00412v1 2017-11-20,Temperature dependent relaxation of dipole-exchange magnons in yttrium iron garnet films,"Low energy consumption enabled by charge-free information transport, which is free from ohmic heating, and the ability to process phase-encoded data by nanometer-sized interference devices at GHz and THz frequencies are just a few benefits of spin-wave-based technologies. Moreover, when approaching cryogenic temperatures, quantum phenomena in spin-wave systems pave the path towards quantum information processing. In view of these applications, the lifetime of magnons$-$spin-wave quanta$-$is of high relevance for the fields of magnonics, magnon spintronics and quantum computing. Here, the relaxation behavior of parametrically excited magnons having wavenumbers from zero up to $6\cdot 10^5 \mathrm{rad~cm}^{-1}$ was experimentally investigated in the temperature range from 20 K to 340 K in single crystal yttrium iron garnet (YIG) films epitaxially grown on gallium gadolinium garnet (GGG) substrates as well as in a bulk YIG crystal$-$the magnonic materials featuring the lowest magnetic damping known so far. As opposed to the bulk YIG crystal in YIG films we have found a significant increase in the magnon relaxation rate below 150 K$-$up to 10.5 times the reference value at 340 K$-$in the entire range of probed wavenumbers. This increase is associated with rare-earth impurities contaminating the YIG samples with a slight contribution caused by coupling of spin waves to the spin system of the paramagnetic GGG substrate at the lowest temperatures.",1711.07517v1 2019-03-22,Effects of post-deposition annealing on the structure and magnetization of PLD grown Yttrium Iron Garnet films,"We report on the recrystallization of 200 nm thick as-grown Yttrium Iron Garnet (Y_3.4 Fe_4.6 O_12) films on (111) face of Gadolinium Gallium Garnet (GGG) single crystals by post-deposition annealing. Epitaxial conversion of the as-grown microcrystalline YIG films was seen after annealing at 800oC for more than 30 minutes both in ambient oxygen as well as in air. The as-grown oxygen annealed samples at 800oC for 60 minutes crystallize epitaxially and show excellent figure-of-merit for saturation magnetization (MS = 3.3 {\mu}B/f.u., comparable to bulk value) and coercivity (HC ~ 1.1 Oe). The ambient air annealing at 800oC with a very slow rate of cooling (2oC/min) results in a double layer structure with a thicker unstrained epitaxial top layer having the MS and HC of 2.9 {\mu}B/f.u. and 0.12 Oe respectively. The symmetric and asymmetric Reciprocal space maps of both the samples reveal a locking of the in-plane lattice of the film to the in-plane lattice of substrate, indicating a pseudomorphic growth. The residual stress calculated by sin^2 {\psi} technique is compressive in nature. The lower layer in air annealed sample is highly strained, whereas, the top layer has negligible compressive stress.",1903.09457v1 2014-01-20,On the theory of inhomogeneous Bose-Einstein condensation of magnons in yttrium garnet,"The Bose-Einstein condensation (BEC) of magnons created by a strong pumping in ferromagnetic thin films of yttrium iron garnet used as systems of finite size is considered analytically. Such a peculiarity, typical for this magnetic material, as the presence of a minimum in the spectrum of spin waves at a finite value of the wave vector is taken into account. The definition of hightemperature BEC is introduced and its characteristics are discussed. A role of boundary conditions for spin variables is analyzed, and it is shown that in the case of free spins on the boundary the magnon lattice can form in the system. The factors responsible for its appearance are discussed.",1401.4854v1 2016-05-30,"An integrated approach to doped thin films with strain tunable magnetic anisotropy: Powder synthesis, target preparation and pulsed laser deposition of Bi:YIG","We present a synthesis/processing method for fabricating ferrimagnetic insulator (Bi-doped yttrium iron garnet) thin films with tunable magnetic anisotropy. Since the desired magnetic properties rely on controllable thickness and successful doping, we pay attention to the entire synthesis/processing procedure (nanopowder synthesis, nanocrystalline target preparation and pulsed laser deposition (PLD)). Atomically flat films were deposited by PLD on (111)-orientated yttrium aluminum garnet. We show a significant enhancement of perpendicular anisotropy in the films, caused by strain-induced anisotropy. In addition, the perpendicular anisotropy is tunable by decreasing the film thickness and overwhelms the shape anisotropy at a critical thickness of 3.5 nm.",1605.09084v2 2017-03-26,Unexpected structural and magnetic depth dependence of YIG thin films,"We report measurements on yttrium iron garnet (YIG) thin films grown on both gadolinium gallium garnet (GGG) and yttrium aluminium garnet (YAG) substrates, with and without thin Pt top layers. We provide three principal results: the observation of an interfacial region at the Pt/YIG interface, we place a limit on the induced magnetism of the Pt layer and confirm the existence of an interfacial layer at the GGG/YIG interface. Polarised neutron reflectometry (PNR) was used to give depth dependence of both the structure and magnetism of these structures. We find that a thin film of YIG on GGG is best described by three distinct layers: an interfacial layer near the GGG, around 5 nm thick and non-magnetic, a magnetic bulk phase, and a non-magnetic and compositionally distinct thin layer near the surface. We theorise that the bottom layer, which is independent of the film thickness, is caused by Gd diffusion. The top layer is likely to be extremely important in inverse spin Hall effect measurements, and is most likely Y2O3 or very similar. Magnetic sensitivity in the PNR to any induced moment in the Pt is increased by the existence of the Y2O3 layer; any moment is found to be less than 0.02 uB/atom.",1703.08752v1 2020-01-09,Bismuth iron garnet: ab initio study of electronic properties,"Bismuth iron garnet (BIG), i.e. Bi3Fe5O12, is a strong ferrimagnet that also possess outstanding magneto-optical properties such as the largest known Faraday rotation. These properties are related with the distribution of magnetic moments on octahedral and tetrahedral sites, the presence of spin gaps in the density of state and a strong spin-orbit coupling. In this work, first-principles ab initio calculations are performed to study the structural, electronic and magnetic properties of BIG using Density Functional Theory with Hubbard+U (DFT+U) correction including spin-orbit coupling and HSE06 hybrid functional. We found that the presence of spin gaps in the electronic structure results from the interplay between exchange and correlation effects and the crystal field strengths for tetrahedral and octahedral iron sublattices. The DFT+U treatment tends to close the spin-gaps for larger U due to over-localization effects, notably in the octahedral site. On the other hand, the hybrid functional confirms the occurrences of three spin gaps in the iron states of the conduction band as expected from optical measurements. A strong exchange splitting at the top of the valence bands associated with a lone-pair type mixture of O p and Bi s,p states is also obtained. Similar exchange splitting was not previously observed for other iron based garnets, such as for yttrium iron garnet. It follows that hole doping, as obtained by Ca substitution at Bi sites, results in a full spin polarized density at the Fermi energy. This work helps to shed more light on the theoretical comprehension of the properties of BIG and opens the route towards the use of advanced Many Body calculations to predict the magneto-optical coupling effects in BIG in a direct comparison with the experimental measurements.",2001.02910v1 2018-11-29,Structural and Magnetic Study of Metallo-Organic YIG Powder Using 2-ethylhexanoate Carboxylate Based Precursors,"The crystallization and magnetic behavior of yttrium iron garnet (YIG) prepared by metallo-organic decomposition (MOD) method are discussed. The chemistry and physics related to synthesis of iron and yttrium carboxylates based on 2-ethylhexanoic acid (2EHA) are studied, since no literature was found which elucidates synthesis of metallo-organic precursor of YIG in spite of the literatures of doped YIG samples such as Bi-YIG. Typically, the metal carboxylates used in preparation of ceramic oxide materials are 2-ethylhexanoate (2EH) solvents. Herein, the synthesis, thermal behavior and solubility of yttrium and iron 2EH used in synthesis of YIG powder by MOD are reported. The crystallization and magnetic parameters, including saturation magnetization and coercivity of these samples, smoothly change as a function of the annealing temperature. It is observed that high sintering temperature of 1300 to 1400 {\deg}C promotes the diffraction peaks of YIG, therefore, we can conclude that the formation of YIG in MOD method increases the crystallization temperature. The maximum value of saturation magnetization and minimum value of coercivity and remanence are observed for the sample sintered at 1200{\deg}C which are 13.7 emu/g, 10.38 Oe and 1.5 emu/g, respectively. This study cites the drawbacks in chemical synthesis of metallo-organic based YIG production.",1811.12514v1 1997-03-26,Stochastic Resonance in Chaotic Spin-Wave Dynamics,"We report the first experimental observation of noise-free stochastic resonance by utilizing the intrinsic chaotic dynamics of the system. To this end we have investigated the effect of an external periodic modulation on intermittent signals observed by high power ferromagnetic resonance in yttrium iron garnet spheres. Both the signal-to-noise ratio and the residence time distributions show the characteristic features of stochastic resonance. The phenomena can be explained by means of a one-dimensional intermittent map. We present analytical results as well as computer simulations.",9703018v1 2004-11-28,Generation of spin-wave dark solitons with phase engineering,"We generate experimentally spin-wave envelope dark solitons from rectangular high-frequency dark input pulses with externally introduced phase shifts in yttrium-iron garnet magnetic fims. We observe the generation of both odd and even numbers of magnetic dark solitons when the external phase shift varies. The experimental results are in a good qualitative agreement with the theory of the dark-soliton generation in magnetic films developed earlier [Phys. Rev. Lett. 82, 2583 (1999)].",0411056v1 2008-05-27,Scattering of backward spin waves in a one-dimensional magnonic crystal,"Scattering of backward volume magnetostatic spin waves from a one-dimensional magnonic crystal, realized by a grating of shallow grooves etched into the surface of an yttrium-iron garnet film, was experimentally studied. Rejection frequency bands were clearly observed. The rejection efficiency and the frequency width of the rejection bands increase with increasing groove depth. A theoretical model based on the analogy of a spin-wave film-waveguide with a microwave transmission line was used to interpret the obtained experimental results.",0805.4142v1 2008-09-19,Polarization proximity effect in isolator crystal pairs,"We experimentally studied the polarization dynamics (orientation and ellipticity) of near infrared light transmitted through magnetooptic Yttrium Iron Garnet crystal pairs using a modified balanced detection scheme. When the pair separation is in the sub-millimeter range, we observed a proximity effect in which the saturation field is reduced by up to 20%. 1D magnetostatic calculations suggest that the proximity effect originates from magnetostatic interactions between the dipole moments of the isolator crystals. This substantial reduction of the saturation field is potentially useful for the realization of low-power integrated magneto-optical devices.",0809.3292v1 2008-10-22,Probing of a parametrically pumped magnon gas with a non-resonant packet of traveling spin waves,"The magnon gas created by spatially localized longitudinal parametric pumping in an yttrium-iron-garnet film is probed by a traveling packet of spin waves non-resonant with the pumping field. The analysis of the influence of the magnon gas on the amplitude and phase of the propagating spin waves allows to determine characteristic properties of the parametrically pumped magnon gas. A simple theoretical model is proposed from which the magnon density in the pumping region is calculated.",0810.4033v1 2009-01-13,Refractive index and Snell's Law for Dipolar-Exchange Spin-Waves in a Confined Planar Structure,"We derived the analytical forms of refractive index and Snell law for dipolar-exchange spin waves of reflection and refraction at a magnetically heterogeneous interface in a geometrically confined planer structure composed of different magnetic thin films from a microscopic scattering approach. A novel behavior, the optical total reflection, was demonstrated for spin waves with a specific interface between Yttrium iron garnet (Y3Fe5O12) and Permalloy (Ni80Fe20), by analytical and micromagnetic numerical calculations.",0901.1700v2 2009-03-02,Magnetooptical control of light collapse in bulk Kerr media,"Magneto-optical crystals allow an efficient control of the birefringence of light via the Cotton-Mouton and Faraday effects. These effects enable a unique combination of adjustable linear and circular birefringence, which, in turn, can affect the propagation of light in nonlinear Kerr media. We show numerically that the combined birefringences can accelerate, delay, or arrest the nonlinear collapse of (2+1)D beams, and report an experimental observation of the acceleration of the onset of collapse in a bulk Yttrium Iron Garnet (YIG) crystal in an external magnetic field.",0903.0373v1 2010-10-12,Linear-response theory of spin Seebeck effect in ferromagnetic insulators,"We formulate a linear response theory of the spin Seebeck effect, i.e., a spin voltage generation from heat current flowing in a ferromagnet. Our approach focuses on the collective magnetic excitation of spins, i.e., magnons. We show that the linear-response formulation provides us with a qualitative as well as quantitative understanding of the spin Seebeck effect observed in a prototypical magnet, yttrium iron garnet.",1010.2325v2 2011-03-19,Spin transfer torque on magnetic insulators,"Recent experimental and theoretical studies focus on spin-mediated heat currents at interfaces between normal metals and magnetic insulators. We resolve conflicting estimates for the order of magnitude of the spin transfer torque by first-principles calculations. The spin mixing conductance G^\uparrow\downarrow of the interface between silver and the insulating ferrimagnet Yttrium Iron Garnet (YIG) is dominated by its real part and of the order of 10^14 \Omega^-1m^-2, i.e. close to the value for intermetallic interface, which can be explained by a local spin model.",1103.3764v2 2011-06-16,Thermomagnonic spin transfer and Peltier effects in insulating magnets,"We study the coupled magnon energy transport and collective magnetization dynamics in ferromagnets with magnetic textures. By constructing a phenomenological theory based on irreversible thermodynamics, we describe motion of domain walls by thermal gradients and generation of heat flows by magnetization dynamics. From microscopic description based on magnon kinetics, we estimate the transport coefficients and analyze the feasibility of energy-related applications in insulating ferromagnets, such as yttrium iron garnet and europium oxide.",1106.3135v2 2011-07-06,Spin Seebeck Effect: Amplification of Spin Waves by Thermal Torque,"We observe amplification of spin-wave packets propagating along a film of yttrium iron garnet (YIG) subject to a transverse temperature gradient. The amplification is attributed to a spin-transfer thermal torque created by spin currents generated by means of the spin Seebeck effect that acts on the magnetization and opposes the relaxation. The experimental data are interpreted with a simple theoretical model using spin-wave theory that gives an amplification gain in very good agreement with measurements.",1107.1271v2 2012-04-18,Domain wall heat conductance in ferromagnetic wires,"We present a theoretical study of heat transport in electrically insulating ferromagnetic wires containing a domain wall. In the regime of validity of continuum micromagnetism a domain wall is found to have no effect on the heat conductance. However, spin waves are found to be reflected by domain walls with widths of a few lattice spacings, which is associated with emergence of an additional spin wave bound state. The resulting domain wall heat conductance should be significant for thin films of Yttrium Iron Garnet with sharply defined magnetic domains.",1204.4008v2 2013-09-11,Nanomechanical AC Susceptometry of an Individual Mesoscopic Ferrimagnet,"A novel method for simultaneous detection of both DC and time-dependent magnetic signatures in individual mesoscopic structures has emerged from early studies in spin mechanics. Multifrequency nanomechanical detection of AC susceptibility and its harmonics highlights reversible nonlinearities in the magnetization response of a single yttrium iron garnet (YIG) element, separating them from hysteretic jumps in the DC magnetization.",1309.2965v1 2013-11-12,Nonreciprocity engineering in magnetostatic spin waves,"Magnetostatic surface spin waves (MSSW) excited from a coplanar waveguide antenna travel in different directions with different amplitudes. This effect, called nonreciprocity of MSSW, has been investigated by micromagnetic simulations. The ratio of amplitude of two counter propagating spin waves, the nonreciprocity parameter {\kappa}, is obtained for different ferromagnetic materials, such as NiFe (Py), CoFeAl, yttrium iron garnet (YIG), and GaMnAs. A device schematic has been proposed in which {\kappa} can be tuned to a large value by varying simple geometrical parameters of the device.",1311.2686v1 2014-04-09,Current-induced spin torque resonance of magnetic insulators,"We formulate a theory of the AC spin Hall magnetoresistance (SMR) in a bilayer system consisting of a magnetic insulator such as yttrium iron garnet (YIG) and a heavy metal such as platinum (Pt). We derive expressions for the DC voltage generation based on the drift-diffusion spin model and quantum mechanical boundary condition at the interface that reveal a spin torque ferromagnetic resonance (ST-FMR). We predict that ST-FMR experiments will reveal valuable information on the current-induced magnetization dynamics of magnetic insulators and AC spin Hall effect.",1404.2360v2 2014-10-05,Planar Hall effect in Y3Fe5O12(YIG)/IrMn films,"The planar Hall effect of IrMn on an yttrium iron garnet (YIG = Y3Fe5O12) was measured in the magnetic field rotating in the film plane. The magnetic field angle dependence of planar Hall resistance (PHR) has been observed in YIG/IrMn bilayer at different temperatures, while the GGG/IrMn (GGG= Gd3Ga5O12) shows constant PHR for different magnetic field angles at both 10 K and 300 K. This provides evidence that IrMn has interfacial spins which can be led by FM in YIG/IrMn structure. A hysteresis can be observed in PHR-magnetic field angle loop of YIG/IrMn films at 10 K, indicating the irreversible switching of IrMn interfacial spins at low temperature.",1410.1112v1 2014-10-07,Influence of interface condition on spin-Seebeck effects,"The longitudinal spin-Seebeck effect (LSSE) has been investigated for Pt/yttrium iron garnet (YIG) bilayer systems. The magnitude of the voltage induced by the LSSE is found to be sensitive to the Pt/YIG interface condition. We observed large LSSE voltage in a Pt/YIG system with a better crystalline interface, while the voltage decays steeply when an amorphous layer is introduced at the interface artificially.",1410.1655v1 2014-12-03,Proximity-induced ferromagnetism in graphene revealed by anomalous Hall effect,"We demonstrate the anomalous Hall effect (AHE) in single-layer graphene exchange-coupled to an atomically flat yttrium iron garnet (YIG) ferromagnetic thin film. The anomalous Hall conductance has magnitude of ~0.09(2e2/h) at low temperatures and is measurable up to ~ 300 K. Our observations indicate not only proximity-induced ferromagnetism in graphene/YIG with large exchange interaction, but also enhanced spin-orbit coupling which is believed to be inherently weak in ideal graphene. The proximity-induced ferromagnetic order in graphene can lead to novel transport phenomena such as the quantized AHE which are potentially useful for spintronics.",1412.1521v1 2015-03-09,Magnetic spheres in microwave cavities,"We apply Mie scattering theory to study the interaction of magnetic spheres with microwaves in cavities beyond the magnetostatic and rotating wave approximations. We demonstrate that both strong and ultra-strong coupling can be realized for a stand alone magnetic spheres made from yttrium iron garnet (YIG), acting as an efficient microwave antenna. The eigenmodes of YIG spheres with radii of the order mm's display distinct higher angular momentum character that has been observed in experiments.",1503.02419v2 2015-06-09,Identification of spin wave modes strongly coupled to a co-axial cavity,"We demonstrate, at room temperature, the strong coupling of the fundamental and non-uniform magnetostatic modes of an yttrium iron garnet (YIG) ferrimagnetic sphere to the electromagnetic modes of a co-axial cavity. The well-defined field profile within the cavity yields a specific coupling strength for each magnetostatic mode. We experimentally measure the coupling strength for the different magnetostatic modes and, by calculating the expected coupling strengths, are able to identify the modes themselves.",1506.02902v1 2015-06-18,Dispersive read-out of ferromagnetic resonance for strongly coupled magnons and microwave photons,"We demonstrate the dispersive measurement of ferromagnetic resonance in a yttrium iron garnet sphere embedded within a microwave cavity. The reduction in the longitudinal magnetization at resonance is measured as a frequency shift in the cavity mode coupled to the sphere. This measurement is a result of the intrinsic non-linearity in magnetization dynamics, indicating a promising route towards experiments in magnon cavity quantum electro-dynamics.",1506.05631v1 2015-10-22,Magneto-optical coupling in whispering gallery mode resonators,"We demonstrate that yttrium iron garnet microspheres support optical whispering gallery modes similar to those in non-magnetic dielectric materials. The direction of the ferromagnetic moment tunes both the resonant frequency via the Voigt effect as well as the degree of polarization rotation via the Faraday effect. An understanding of the magneto-optical coupling in whispering gallery modes, where the propagation direction rotates with respect to the magnetization, is fundamental to the emerging field of cavity optomagnonics.",1510.06661v2 2016-07-16,"Comment on ""Supercurrent in a room temperature Bose-Einstein magnon condensate""","The comment explains that the preprint arXiv:1503.0042 has not presented persuasive theoretical or experimental arguments of existence of spin supercurrents in a magnon condensate prepared in a room temperature yttrium-iron-garnet magnetic film because the authors did not check known criteria for existence of spin supercurrents in magnetically ordered materials. Also they did not compare their supercurrent interpretation with a competing and more realistic scenario of transport by spin diffusion.",1607.04720v2 2016-11-28,Berry curvature in magnon-phonon hybrid systems,"We theoretically study the Berry curvature of the magnon induced by the hybridization with the acoustic phonons via the spin-orbit and dipolar interactions. We first discuss the magnon-phonon hybridization via the dipolar interaction, and show that the dispersions have gapless points in momentum space, some of which form a loop. Next, when both spin-orbit and dipolar interactions are considered, we show anisotropic texture of the Berry curvature and its divergence with and without gap-closing. Realistic evaluation of the consequent anomalous velocity is given for yttrium iron garnet.",1611.08993v1 2018-04-19,Damping of magnetization dynamics by phonon pumping,"We theoretically investigate pumping of phonons by the dynamics of a magnetic film into a non-magnetic contact. The enhanced damping due to the loss of energy and angular momentum shows interference patterns as a function of resonance frequency and magnetic film thickness that cannot be described by viscous (""Gilbert"") damping. The phonon pumping depends on magnetization direction as well as geometrical and material parameters and is observable, e.g., in thin films of yttrium iron garnet on a thick dielectric substrate.",1804.07080v2 2019-06-03,Magnon-phonon interactions in magnetic insulators,"We address the theory of magnon-phonon interactions and compute the corresponding quasi-particle and transport lifetimes in magnetic insulators with focus on yttrium iron garnet at intermediate temperatures from anisotropy- and exchange-mediated magnon-phonon interactions, the latter being derived from the volume dependence of the Curie temperature. We find in general weak effects of phonon scattering on magnon transport and the Gilbert damping of the macrospin Kittel mode. The magnon transport lifetime differs from the quasi-particle lifetime at shorter wavelengths.",1906.01042v1 2019-11-12,Coherent pumping of high momentum magnons by light,"We propose to excite a large number of coherent magnons with high momentum in optical cavities. This is achieved by two counterpropagating optical modes that are detuned by the frequency of a selected magnon, similar to stimulated Raman scattering. In sub-mm size yttrium iron garnet spheres, a mW laser input power generates 10^6-10^8 coherent magnons. The large magnon population enhances Brillouin light scattering, a probe suitable to access their quantum properties.",1911.04728v1 2020-09-22,From Chaotic Spin Dynamics to Non-collinear Spin Textures in YIG Nano-films by Spin Current Injection,"In this article I report about a numerical investigation of nonlinear spin dynamics in a magnetic thin-film, made of Yttrium-Iron-Garnet (YIG). This film is exposed to a small in-plane oriented magnetic field, and strong spin currents. The rich variety of findings encompass dynamic regimes hosting localized, non-propagating solitons, a turbulent chaotic regime, which condenses into a quasi-static phase featuring a non-collinear spin texture. Eventually, at largest spin current, a homogeneously switched state is established.",2009.10628v1 2021-02-22,A review of modelling in ferrimagnetic spintronics,"In this review we introduce computer modelling and simulation techniques which are used for ferrimagnetic materials. We focus on models where thermal effects are accounted for, atomistic spin dynamics and finite temperature macrospin approaches. We survey the literature of two of the most commonly modelled ferrimagnets in the field of spintronics--the amorphous alloy GdFeCo and the magnetic insulator yttrium iron garnet. We look at how generic models and material specific models have been applied to predict and understand spintronic experiments, focusing on the fields of ultrafast magnetisation dynamics, spincaloritronics and magnetic textures dynamics and give an outlook for modelling in ferrimagnetic spintronics.",2102.11004v1 2021-06-10,QNMnonreciprocal_resonators: an openly available toolbox for computing the QuasiNormal Modes of nonreciprocal resonators,"QNMnonreciprocal_resonators is an extension (posted in 2021) of the QNMEig solver of the freeware package MAN. It provides a comprehensive presentation of the computation and normalization of electromagnetic quasinormal modes (QNMs) of resonators composed of nonreciprocal materials. It features a theoretical background on the topic and a COMSOL model that illustrates how to put into practice the theory on the example of a Yttrium iron garnet wire in a homogenous background. This document provides the necessary details on how the model is built so that the interested readers may easily modify it for computing QNMs of other nonreciprocal resonators.",2106.05502v1 2023-01-14,Quantum entanglement generation on magnons assisted with microwave cavities coupled to a superconducting qubit,"We present protocols to generate quantum entanglement on nonlocal magnons in hybrid systems composed of yttrium iron garnet (YIG) spheres, microwave cavities and a superconducting (SC) qubit. In the schemes, the YIGs are coupled to respective microwave cavities in resonant way, and the SC qubit is placed at the center of the cavities, which interacts with the cavities simultaneously. By exchanging the virtual photon, the cavities can indirectly interact in the far-detuning regime. Detailed protocols are presented to establish entanglement for two, three and arbitrary $N$ magnons with reasonable fidelities.",2301.05820v1 2023-01-24,Direct observation of magnon BEC in an out-of-plane magnetized yttrium iron garnet film,"Bose-Einstain condensation occurs at an appropriate density of bosonic particles, depending on their mass and temperature. We were able to experimentally observe the transition from the spin wave regime to the magnon Bose-Einstein condensed state (mBEC) with increasing magnon density by a microwave pumping. We used optical methods to register the spatial distribution of the magnon density and phase. For the first time, a coherent state of stationary magnons was demonstrated far from the region of their excitation.",2301.10725v1 2023-02-17,Control of magnon-photon coupling by spin torque,"We demonstrate the influence of damping and field-like torques in the magnon-photon coupling process by classically integrating the generalized Landau-Lifshitz-Gilbert equation with RLC equation in which a phase correlation between dynamic magnetization and microwave current through combined Amp\`ere and Faraday effects are considered. We show that the gap between two hybridized modes can be controlled in samples with damping parameter in the order of $10^{-3}$ by changing the direction of the dc current density $J$ if a certain threshold is reached. Our results suggest that an experimental realization of the proposed magnon-photon coupling control mechanism is feasible in yttrium iron garnet/Pt hybrid structures.",2302.08910v1 2023-05-11,Correlation-enhanced interaction of a Bose-Einstein condensate with parametric magnon pairs and virtual magnons,"Nonlinear interactions are crucial in science and engineering. Here, we investigate wave interactions in a highly nonlinear magnetic system driven by parametric pumping leading to Bose--Einstein condensation of spin-wave quanta -- magnons. Using Brillouin light scattering spectroscopy in yttrium-iron garnet films, we found and identified a set of nonlinear processes resulting in off-resonant spin-wave excitations -- virtual magnons. In particular, we discovered a dynamically-strong, correlation-enhanced four-wave interaction process of the magnon condensate with pairs of parametric magnons having opposite wavevectors and fully correlated phases.",2305.06896v1 2023-12-05,Interplay between magnetism and superconductivity in a hybrid magnon-photon bilayer system,"Spin waves in magnetic films are affected by the vicinity to a superconductor. Here we studied a bilayer stack made of an insulating Yttrium Iron Garnet (YIG) film and a high-$T_c$ YBCO superconducting planar resonator. We investigated the hybridization of magnon and photon modes reporting the temperature evolution of microwave transmission spectra. Data analysis, based on the description of magnon modes and on the Hopfield model, shows that the magnon-photon coupling strength and the mode frequency shift can be ultimately related to the temperature dependence of the penetration depth of YBCO.",2312.02785v2 2015-06-19,All electrical coherent control of the magnetization in thin Yittrium Iron Garnet film,"We demonstrate coherent control of time domain ferromagnetic resonance by all electrical excitation and detection. Using two ultrashort magnetic field steps with variable time delay we control the induction decay in yttrium iron garnet (YIG). By setting suitable delay times between the two steps the precession of the magnetization can either be enhanced or completely stopped. The method allows for a determination of the precession frequency within a few precession periods and with an accuracy much higher than can be achieved using fast fourier transformation. Moreover it holds the promise to massively increase precession amplitudes in pulsed inductive microwave magnetometry (PIMM) using low amplitude finite pulse trains. Our experiments are supported by micromagnetic simulations which nicely confirm the experimental results.",1506.05935v1 2017-06-11,Magnetization spin dynamics in a (LuBi)3Fe5O12 (BLIG) epitaxial film,"Bismuth substituted lutetium iron garnet (BLIG) films exhibit larger Faraday rotation, and have a higher Curie temperature than yttrium iron garnet. We have observed magnetic stripe domains and measured domain widths of 1.4 {\mu}{\mu}m using Fourier domain polarization microscopy, Faraday rotation experiments yield a coercive field of 5 Oe. These characterizations form the basis of micromagnetic simulations that allow us to estimate and compare spin wave excitations in BLIG films. We observed that these films support thermal magnons with a precessional frequency of 7 GHz with a line width of 400 MHz. Further, we studied the dependence of precessional frequency on the externally applied magnetic field. Brillouin light scattering experiments and precession frequencies predicted by simulations show similar trend with increasing field.",1706.03340v1 2004-05-26,Microwave Magnetoelectric Effects in Single Crystal Bilayers of Yttrium Iron Garnet and Lead Magnesium Niobate-Lead Titanate,"The first observation of microwave magnetoelectric (ME) interactions through ferromagnetic resonance (FMR) in bilayers of single crystal ferromagnetic-piezoelectric oxides and a theoretical model for the effect are presented. An electric field E produces a mechanical deformation in the piezoelectric phase, resulting in a shift dHE in the resonance field for the ferromagnet. The strength of ME coupling is obtained from data on dHE vs E. Studies were performed at 9.3 GHz on bilayers of (111) yttrium iron garnet (YIG) films and (001) lead magnesium niobate-lead titanate (PMN-PT). The samples were positioned outside a TE102-reflection type cavity. Resonance profiles were obtained for E = 0-8 kV/cm for both in-plane and out-of-plane magnetic fields H. Important results are as follows. (i) The ME coupling in the bilayers is an order of magnitude stronger than in polycrystalline composites and is in the range 1-5.4 Oe cm/kOe, depending on the YIG film thickness. (ii) The coupling strength is dependent on the magnetic field orientation and is higher for out-of-plane H than for in-plane H. (iii) Estimated ME constant and its dependence on volume ratio for the two phases are in good agreement with the data.",0405622v1 2015-12-03,Cavity quantum electrodynamics with ferromagnetic magnons in a small yttrium-iron-garnet sphere,"Hybridizing collective spin excitations and a cavity with high cooperativity provides a new research subject in the field of cavity quantum electrodynamics and can also have potential applications to quantum information. Here we report an experimental study of cavity quantum electrodynamics with ferromagnetic magnons in a small yttrium-iron-garnet (YIG) sphere at both cryogenic and room temperatures. We observe for the first time a strong coupling of the same cavity mode to both a ferromagnetic-resonance (FMR) mode and a magnetostatic (MS) mode near FMR in the quantum limit. This is achieved at a temperature ~ 22 mK, where the average microwave photon number in the cavity is less than one. At room temperature, we also observe strong coupling of the cavity mode to the FMR mode in the same YIG sphere and find a slight increase of the damping rate of the FMR mode. These observations reveal the extraordinary robustness of the FMR mode against temperature. However, the MS mode becomes unobservable at room temperature in the measured transmission spectrum of the microwave cavity containing the YIG sphere. Our numerical simulations show that this is due to a drastic increase of the damping rate of the MS mode.",1512.00983v1 2016-08-29,Sub-micrometer yttrium iron garnet LPE films with low ferromagnetic resonance losses,"Using liquid phase epitaxy (LPE) technique (111) yttrium iron garnet (YIG) films with thicknesses of ~100 nm and surface roughnesses as low as 0.3 nm have been grown as a basic material for spin-wave propagation experiments in microstructured waveguides. The continuously strained films exhibit nearly perfect crystallinity without significant mosaicity and with effective lattice misfits of delta a(perpendicular)/a(substrate) ~10-4 and below. The film/substrate interface is extremely sharp without broad interdiffusion layer formation. All LPE films exhibit a nearly bulk-like saturation magnetization of (1800+-20) Gs and an `easy cone' anisotropy type with extremely small in-plane coercive fields <0.2 Oe. There is a rather weak in-plane magnetic anisotropy with a pronounced six-fold symmetry observed for saturation field <1.5 Oe. No significant out-of-plane anisotropy is observed, but a weak dependence of the effective magnetization on the lattice misfit is detected. The narrowest ferromagnetic resonance linewidth is determined to be 1.4 Oe @ 6.5 GHz which is the lowest value reported so far for YIG films of 100 nm thicknesses and below. The Gilbert damping coefficient for investigated LPE films is estimated to be close to 1 x 10-4.",1608.08043v1 2017-05-05,Thermographic measurements of the spin Peltier effect in metal/yttrium-iron-garnet junction systems,"The spin Peltier effect (SPE), heat-current generation due to spin-current injection, in various metal (Pt, W, and Au single layers and Pt/Cu bilayer)/ferrimagnetic insulator (yttrium iron garnet: YIG) junction systems has been investigated by means of a lock-in thermography (LIT) method. The SPE is excited by a spin current across the metal/YIG interface, which is generated by applying a charge current to the metallic layer via the spin Hall effect. The LIT method enables the thermal imaging of the SPE free from the Joule-heating contribution. Importantly, we observed spin-current-induced temperature modulation not only in the Pt/YIG and W/YIG systems but also in the Au/YIG and Pt/Cu/YIG systems, excluding the possible contamination by anomalous Ettingshausen effects due to proximity-induced ferromagnetism near the metal/YIG interface. As demonstrated in our previous study, the SPE signals are confined only in the vicinity of the metal/YIG interface; we buttress this conclusion by reducing a spatial blur due to thermal diffusion in an infrared emission layer on the sample surface used for the LIT measurements. We also found that the YIG-thickness dependence of the SPE is similar to that of the spin Seebeck effect measured in the same Pt/YIG sample, implying the reciprocal relation between them.",1705.02094v1 2017-05-05,Neutron-scattering study of yttrium iron garnet,"The nuclear and magnetic structure and full magnon dispersions of yttrium iron garnet Y$_3$Fe$_5$O$_{12}$ have been studied by neutron scattering. The refined nuclear structure is distorted to a trigonal space group of $R\bar{3}$. The highest-energy dispersion extends up to 86 meV. The observed dispersions are reproduced by a simple model with three nearest-neighbor-exchange integrals between 16$a$ (octahedral) and 24$d$ (tetrahedral) sites, $J_{aa}$, $J_{ad}$, and $J_{dd}$, which are estimated to be 0.00$\pm$0.05, $-$2.90$\pm$0.07, and $-$0.35$\pm$0.08 meV, respectively. The lowest-energy dispersion below 14 meV exhibits a quadratic dispersion as expected from ferromagnetic magnons. The imaginary part of $q$-integrated dynamical spin susceptibility $\chi$""($E$) exhibits a square-root energy-dependence in the low energies. The magnon density of state is estimated from the $\chi$""($E$) obtained on an absolute scale. The value is consistent with a single polarization mode for the magnon branch expected theoretically.",1705.02167v5 2017-06-14,Nonlocal magnon-polaron transport in yttrium iron garnet,"The spin Seebeck effect (SSE) is observed in magnetic insulator|heavy metal bilayers as an inverse spin Hall effect voltage under a temperature gradient. The SSE can be detected nonlocally as well, viz. in terms of the voltage in a second metallic contact (detector) on the magnetic film, spatially separated from the first contact that is used to apply the temperature bias (injector). Magnon-polarons are hybridized lattice and spin waves in magnetic materials, generated by the magnetoelastic interaction. Kikkawa et al. [Phys. Rev. Lett. \textbf{117}, 207203 (2016)] interpreted a resonant enhancement of the local SSE in yttrium iron garnet (YIG) as a function of the magnetic field in terms of magnon-polaron formation. Here we report the observation of magnon-polarons in \emph{nonlocal} magnon spin injection/detection devices for various injector-detector spacings and sample temperatures. Unexpectedly, we find that the magnon-polaron resonances can suppress rather than enhance the nonlocal SSE. Using finite element modelling we explain our observations as a competition between the SSE and spin diffusion in YIG. These results give unprecedented insights into the magnon-phonon interaction in a key magnetic material.",1706.04373v1 2018-02-09,Monocrystalline free standing 3D yttrium iron garnet magnon nano resonators,"Nano resonators in which mechanical vibrations and spin waves can be coupled are an intriguing concept that can be used in quantum information processing to transfer information between different states of excitation. Until now, the fabrication of free standing magnetic nanostructures which host long lived spin wave excitatons and may be suitable as mechanical resonators seemed elusive. We demonstrate the fabrication of free standing monocrystalline yttrium iron garnet (YIG) 3D nanoresonators with nearly ideal magnetic properties. The freestanding 3D structures are obtained using a complex lithography process including room temperature deposition and lift-off of amorphous YIG and subsequent crystallization by annealing. The crystallization nucleates from the substrate and propagates across the structure even around bends over distances of several micrometers to form e.g. monocrystalline resonators as shown by transmission electron microscopy. Spin wave excitations in individual nanostructures are imaged by time resolved scanning Kerr microscopy. The narrow linewidth of the magnetic excitations indicates a Gilbert damping constant of only $\alpha = 2.6 \times 10^{-4}$ rivalling the best values obtained for epitaxial YIG thin film material. The new fabrication process represents a leap forward in magnonics and magnon mechanics as it provides 3D YIG structures of unprecedented quality. At the same time it demonstrates a completely new route towards the fabrication of free standing crystalline nano structures which may be applicable also to other material systems.",1802.03176v2 2018-02-26,Spin Seebeck effect and ballistic transport of quasi-acoustic magnons in room-temperature yttrium iron garnet films,"We studied the transient behavior of the spin current generated by the longitudinal spin Seebeck effect (LSSE) in a set of platinum-coated yttrium iron garnet (YIG) films of different thicknesses. The LSSE was induced by means of pulsed microwave heating of the Pt layer and the spin currents were measured electrically using the inverse spin Hall effect in the same layer. We demonstrate that the time evolution of the LSSE is determined by the evolution of the thermal gradient triggering the flux of thermal magnons in the vicinity of the YIG/Pt interface. These magnons move ballistically within the YIG film with a constant group velocity, while their number decays exponentially within an effective propagation length. The ballistic flight of the magnons with energies above 20K is a result of their almost linear dispersion law, similar to that of acoustic phonons. By fitting the time-dependent LSSE signal for different film thicknesses varying by almost an order of magnitude, we found that the effective propagation length is practically independent of the YIG film thickness. We consider this fact as strong support of a ballistic transport scenario - the ballistic propagation of quasi-acoustic magnons in room temperature YIG.",1802.09593v1 2018-03-30,Nonlocal magnon spin transport in yttrium iron garnet with tantalum and platinum spin injection/detection electrodes,"We study the magnon spin transport in the magnetic insulator yttrium iron garnet (YIG) in a nonlocal experiment and compare the magnon spin excitation and detection for the heavy metal paramagnetic electrodes platinum (Pt|YIG|Pt) and tantalum (Ta|YIG|Ta). The electrical injection and detection processes rely on the (inverse) spin Hall effect in the heavy metals and the conversion between the electron spin and magnon spin at the heavy metal|YIG interface. Pt and Ta possess opposite signs of the spin Hall angle. Furthermore, their heterostructures with YIG have different interface properties, i.e. spin mixing conductances. By varying the distance between injector and detector, the magnon spin transport is studied. Using a circuit model based on the diffusion-relaxation transport theory, a similar magnon relaxation length of ~ 10 \mu m was extracted from both Pt and Ta devices. By changing the injector and detector material from Pt to Ta, the influence of interface properties on the magnon spin transport has been observed. For Ta devices on YIG the spin mixing conductance is reduced compared with Pt devices, which is quantitatively consistent when comparing the dependence of the nonlocal signal on the injector-detector distance with the prediction from the circuit model.",1803.11382v1 2019-01-28,Spin Hall magnetoresistance in heterostructures consisting of noncrystalline paramagnetic YIG and Pt,"The spin Hall magnetoresistance (SMR) effect arises from spin-transfer processes across the interface between a spin Hall active metal and an insulating magnet. While the SMR response of ferrimagnetic and antiferromagnetic insulators has been studied extensively, the SMR of a paramagnetic spin ensemble is not well established. Thus, we investigate herein the magnetoresistive response of as-deposited yttrium iron garnet/platinum thin film bilayers as a function of the orientation and the amplitude of an externally applied magnetic field. Structural and magnetic characterization show no evidence for crystalline order or spontaneous magnetization in the yttrium iron garnet layer. Nevertheless, we observe a clear magnetoresistance response with a dependence on the magnetic field orientation characteristic for the SMR. We propose two models for the origin of the SMR response in paramagnetic insulator/Pt heterostructures. The first model describes the SMR of an ensemble of non-interacting paramagnetic moments, while the second model describes the magnetoresistance arising by considering the total net moment. Interestingly, our experimental data are consistently described by the net moment picture, in contrast to the situation in compensated ferrimagnets or antiferromagnets.",1901.09986v1 2019-10-19,Propagation of spin-waves packets in individual nano-sized yttrium iron garnet magnonic conduits,"Modern-days CMOS-based computation technology is reaching its fundamental limitations. The emerging field of magnonics, which utilizes spin waves for data transport and processing, proposes a promising path to overcome these limitations. Different devices have been demonstrated recently on the macro- and microscale, but the feasibility of the magnonics approach essentially relies on the scalability of the structure feature size down to an extent of a few 10 nm, which are typical sizes for the established CMOS technology. Here, we present a study of propagating spin-wave packets in individual yttrium iron garnet (YIG) conduits with lateral dimensions down to 50 nm. Space and time resolved micro-focused Brillouin-Light-Scattering (BLS) spectroscopy is used to characterize the YIG nanostructures and measure the spin-wave decay length and group velocity directly. The revealed magnon transport at the scale comparable to the scale of CMOS proves the general feasibility of a magnon-based data processing.",1910.08801v2 2019-11-21,Low damping and microstructural perfection of sub-40nm-thin yttrium iron garnet films grown by liquid phase epitaxy,"The field of magnon spintronics is experiencing an increasing interest in the development of solutions for spin-wave-based data transport and processing technologies that are complementary or alternative to modern CMOS architectures. Nanometer-thin yttrium iron garnet (YIG) films have been the gold standard for insulator-based spintronics to date, but a potential process technology that can deliver perfect, homogeneous large-diameter films is still lacking. We report that liquid phase epitaxy (LPE) enables the deposition of nanometer-thin YIG films with low ferromagnetic resonance losses and consistently high magnetic quality down to a thickness of 20 nm. The obtained epitaxial films are characterized by an ideal stoichiometry and perfect film lattices, which show neither significant compositional strain nor geometric mosaicity, but sharp interfaces. Their magneto-static and dynamic behavior is similar to that of single crystalline bulk YIG. We found, that the Gilbert damping coefficient alpha is independent of the film thickness and close to 1 x 10-4, and that together with an inhomogeneous peak-to-peak linewidth broadening of delta H0|| = 0.4 G, these values are among the lowest ever reported for YIG films with a thickness smaller than 40 nm. These results suggest, that nanometer-thin LPE films can be used to fabricate nano- and micro-scaled circuits with the required quality for magnonic devices. The LPE technique is easily scalable to YIG sample diameters of several inches.",1911.09400v1 2021-06-29,Neutron Scattering Study on Yttrium Iron Garnet for Spintronics,"Spin current -- a flow of the spin degree of freedom in matter -- has vital importance in spintronics. Propagation of the spin current ranges over a whole momentum space; however, generated spin currents are mainly detected in the long-wavelength limit. To facilitate practical uses of spintronics and magnonics, microscopic understanding of the spin current is necessary. We here address yttrium iron garnet, which is a well-employed ferrimagnet for spintronics, and review {\it in re} the momentum- and energy-resolved characteristics of its magnetism. Using {\it unpolarized} neutrons, we refined its detailed crystal and magnetic structure, and examined magnetic excitations through four decades (10~$\mu$eV-100~meV) using chopper spectrometers in J-PARC, Japan. We also measured mode-resolved directions of the precessional motion of the magnetic moment, i.e., magnon polarization, which carries the spin current in insulators through {\it polarized} neutron scattering, using a triple-axis spectrometer in ILL, France. The magnon polarization is a hitherto untested fundamental property of magnets, affecting the thermodynamic properties of the spin current. Our momentum- and energy-resolved experimental findings provide an intuitive understanding of the spin current and demonstrate the importance of neutron scattering techniques for spintronics and magnonics.",2106.15752v1 2021-08-18,Dispersionless propagation of ultra-short spin-wave pulses in ultrathin yttrium iron garnet waveguides,"We study experimentally the propagation of nanosecond spin-wave pulses in microscopic waveguides made of nanometer-thick yttrium iron garnet films. For these studies, we use micro-focus Brillouin light scattering spectroscopy, which provides the possibility to observe propagation of the pulses with high spatial and temporal resolution. We show that, for most spin-wave frequencies, dispersion leads to broadening of the pulse by several times at propagation distances of 10 micrometers. However, for certain frequency interval, the dispersion broadening is suppressed almost completely resulting in a dispersionless pulse propagation. We show that the formation of the dispersion-free region is caused by the competing effects of the dipolar and the exchange interaction, which can be controlled by the variation of the waveguide geometry. These conclusions are supported by micromagnetic simulations and analytical calculations. Our findings provide a simple solution for the implementation of high-speed magnonic systems that require undisturbed propagation of short information-carrying spin-wave pulses.",2108.08054v1 2021-09-10,Electrical spectroscopy of the spin-wave dispersion and bistability in gallium-doped yttrium iron garnet,"Yttrium iron garnet (YIG) is a magnetic insulator with record-low damping, allowing spin-wave transport over macroscopic distances. Doping YIG with gallium ions greatly reduces the demagnetizing field and introduces a perpendicular magnetic anisotropy, which leads to an isotropic spin-wave dispersion that facilitates spin-wave optics and spin-wave steering. Here, we characterize the dispersion of a gallium-doped YIG (Ga:YIG) thin film using electrical spectroscopy. We determine the magnetic anisotropy parameters from the ferromagnetic resonance frequency and use propagating spin wave spectroscopy in the Damon-Eshbach configuration to detect the small spin-wave magnetic fields of this ultrathin weak magnet over a wide range of wavevectors, enabling the extraction of the exchange constant $\alpha=1.3(2)\times10^{-12}$ J/m. The frequencies of the spin waves shift with increasing drive power, which eventually leads to the foldover of the spin-wave modes. Our results shed light on isotropic spin-wave transport in Ga:YIG and highlight the potential of electrical spectroscopy to map out the dispersion and bistability of propagating spin waves in magnets with a low saturation magnetization.",2109.05045v1 2019-05-30,Predicting New Iron Garnet Thin Films with Perpendicular Magnetic Anisotropy,"Perpendicular magnetic anisotropy (PMA) is a necessary condition for many spintronic applications like spin-orbit torques switching, logic and memory devices. An important class of magnetic insulators with low Gilbert damping at room temperature are iron garnets, which only have a few PMA types such as terbium and samarium iron garnet. More and stable PMA garnet options are necessary for researchers to be able to investigate new spintronic phenomena. In this study, we predict 20 new substrate/magnetic iron garnet film pairs with stable PMA at room temperature. The effective anisotropy energies of 10 different garnet films that are lattice-matched to 5 different commercially available garnet substrates have been calculated using shape, magnetoelastic and magnetocrystalline anisotropy terms. Strain type, tensile or compressive depending on substrate choice, as well as the sign and the magnitude of the magnetostriction constants of garnets determine if a garnet film may possess PMA. We show the conditions in which Samarium, Gadolinium, Terbium, Holmium, Dysprosium and Thulium garnets may possess PMA on the investigated garnet substrate types. Guidelines for obtaining garnet films with low damping are presented. New PMA garnet films with tunable saturation moment and field may improve spin-orbit torque memory and compensated magnonic thin film devices.",1905.13042v1 2017-04-10,Patterned growth of crystalline Y$_{3}$Fe$_{5}$O$_{12}$ nanostructures with engineered magnetic shape anisotropy,"We demonstrate patterned growth of epitaxial yttrium iron garnet (YIG) thin films using lithographically defined templates on gadolinium gallium garnet (GGG) substrates. The fabricated YIG nanostructures yield the desired crystallographic orientation, excellent surface morphology, and narrow ferromagnetic resonance (FMR) linewidth (~ 4 Oe). Shape-induced magnetic anisotropy is clearly observed in a patterned array of nanobars engineered to exhibit the larger coercivity (40 Oe) compared with that of continuous films. Both hysteresis loop and angle-dependent FMR spectra measurements indicate that the easy axis aligns along the longitudinal direction of the nanobars, with an effective anisotropy field of 195 Oe. Our work overcomes difficulties in patterning YIG thin films and provides an effective means to control their magnetic properties and magnetic bias conditions.",1704.03056v2 2018-11-04,Role of gallium diffusion in the formation of a magnetically dead layer at Y3Fe5O12 / Gd3Ga5O12 epitaxial interface,"We have clarified the origin of magnetically dead interface layer formed in yttrium iron garnet (YIG) films grown at above 700{\deg}C onto gadolinium gallium garnet (GGG) substrate by means of laser molecular beam epitaxy. The diffusion-assisted formation of a Ga-rich region at the YIG / GGG interface is demonstrated by means of composition depth profiling performed by X-ray photoelectron spectroscopy, secondary ion mass spectroscopy and X-ray and neutron reflectometry. Our finding is in sharp contrast to the earlier expressed assumption that Gd acts as a migrant element in the YIG/GGG system. We further correlate the presence of Ga-rich transition layer with considerable quenching of ferromagnetic resonance and spin wave propagation in thin YIG films. Finally, we clarify the origin of the enigmatic low-density overlayer that is often observed in neutron and X-ray reflectometry studies of the YIG / GGG epitaxial system.",1811.01321v2 2019-03-05,Influence of misfit strain on the Goos-Hanchen shift upon reflection from a magnetic film on a nonmagnetic substrate,"The influence of the misfit strain on the lateral shift (Goos-Hanchen effect) experienced by a near-infrared electromagnetic wave upon reflection from the surface of a bilayer consisting of a magnetic, gyrotropic (i.e., whose permittivity tensor elements depend upon magnetization) yttrium-iron garnet film deposited on a nonmagnetic gadolinium-gallium garnet substrate is investigated theoretically. In the geometry of the transverse magneto-optical Kerr effect, it is shown that the mechanical strain near the geometrical film/substrate interface can induce a significant lateral shift of the beam for incidence angles close to normal incidence, where no shift appears in the absence of strain. Our calculations demonstrate positive as well as negative values of the lateral shift, depending on the incident light polarization and on the film thickness. In contrast to that of the misfit strain, the influence of the magnetization of the gyrotropic film on the lateral shift is more noticeable for a TM- than for a TE-polarized wave.",1903.01948v1 2019-03-06,Microwave magnon damping in YIG films at millikelvin temperatures,"Magnon systems used in quantum devices require low damping if coherence is to be maintained. The ferrimagnetic electrical insulator yttrium iron garnet (YIG) has low magnon damping at room temperature and is a strong candidate to host microwave magnon excitations in future quantum devices. Monocrystalline YIG films are typically grown on gadolinium gallium garnet (GGG) substrates. In this work, comparative experiments made on YIG waveguides with and without GGG substrates indicate that the material plays a significant role in increasing the damping at low temperatures. Measurements reveal that damping due to temperature-peak processes is dominant above 1 K. Damping behaviour that we show can be attributed to coupling to two-level fluctuators (TLFs) is observed below 1 K. Upon saturating the TLFs in the substrate-free YIG at 20 mK, linewidths of 1.4 MHz are achievable: lower than those measured at room temperature.",1903.02527v3 2020-10-24,Octave-Tunable Magnetostatic Wave YIG Resonators on a Chip,"We have designed, fabricated, and characterized magnetostatic wave (MSW) resonators on a chip. The resonators are fabricated by patterning single-crystal yttrium iron garnet (YIG) film on a gadolinium gallium garnet (GGG) substrate and excited by loop-inductor transducers. We achieved this technology breakthrough by developing a YIG film etching process and fabricating thick aluminum coplanar waveguide (CPW) inductor loop around each resonator to individually address and excite MSWs. At 4.77 GHz, the 0.68 square mm resonator achieves a quality factor Q > 5000 with a bias field of 987 Oe. We also demonstrate YIG resonator tuning by more than one octave from 3.63 to 7.63 GHz by applying an in-plane external magnetic field. The measured quality factor of the resonator is consistently over 3000 above 4 GHz. The micromachining technology enables the fabrication of multiple single- and two-port YIG resonators on the same chip with all resonators demonstrating octave tunability and high Q .",2010.12732v1 2020-11-26,Optically-induced frequency up-conversion of the ferromagnetic resonance in an ultrathin garnet,"We perform ultrafast pump-probe measurements on a nanometer-thick crystalline Bi-doped yttrium iron garnet film with perpendicular magnetic anisotropy. Tuning the photon energy of the pump laser pulses above and below the material's bandgap, we trigger ultrafast optical and spin dynamics via both one- and two-photon absorption. Contrary to the common scenario, the optically-induced heating of the system induces an increase up to 20% of the ferromagnetic resonance frequency. We explain this unexpected result in terms of a photo-induced modification of the magnetic anisotropy, i.e. of the effective field, identifying the necessary conditions to observe this effect. Our results disclose the possibility to optically increase the magnetic eigenfrequency in nanometer-thick magnets.",2011.13403v1 2022-02-07,Magnetization dynamics affected by phonon pumping,"""Pumping"" of phonons by a dynamic magnetization promises to extend the range and functionality of magnonic devices. We explore the impact of phonon pumping on room-temperature ferromagnetic resonance (FMR) spectra of bilayers of thin yttrium iron garnet (YIG) films on thick gadolinium gallium garnet substrates over a wide frequency range. At low frequencies the Kittel mode hybridizes coherently with standing ultrasound waves of a bulk acoustic resonator to form magnon polarons that induce rapid oscillations of the magnetic susceptibility, as reported before. At higher frequencies, the phonon resonances overlap, merging into a conventional FMR line, but with an increased line width. The frequency dependence of the increased line broadening follows the predictions from phonon pumping theory in the thick substrate limit. In addition, we find substantial magnon-phonon coupling of a perpendicular standing spin wave (PSSW) mode. This evidences the importance of the mode overlap between the acoustic and magnetic modes, and provides a route towards engineering the magnetoelastic mode coupling.",2202.03331v1 2022-11-15,Nonlinear sub-switching regime of magnetization dynamics in photo-magnetic garnets,"We analyze, both experimentally and numerically, the nonlinear regime of the photo-induced coherent magnetization dynamics in cobalt-doped yttrium iron garnet films. Photo-magnetic excitation with femtosecond laser pulses reveals a strongly nonlinear response of the spin subsystem with a significant increase of the effective Gilbert damping. By varying both laser fluence and the external magnetic field, we show that this nonlinearity originates in the anharmonicity of the magnetic energy landscape. We numerically map the parameter workspace for the nonlinear photo-induced spin dynamics below the photo-magnetic switching threshold. Corroborated by numerical simulations of the Landau-Lifshitz-Gilbert equation, our results highlight the key role of the cubic symmetry of the magnetic subsystem in reaching the nonlinear spin precession regime. These findings expand the fundamental understanding of laser-induced nonlinear spin dynamics as well as facilitate the development of applied photo-magnetism.",2211.08048v2 2023-12-17,An Edge-Coupled Magnetostatic Bandpass Filter,"This paper reports on the design, fabrication, and characterization of an edge-coupled magnetostatic forward volume wave bandpass filter. Using micromachining techniques, the filter is fabricated from a yttrium iron garnet (YIG) film grown on a gadolinium gallium garnet (GGG) substrate with inductive transducers. By adjusting an out-of-plane magnetic field, we demonstrate linear center frequency tuning for a $4^{\text{th}}$-order filter from 4.5 GHz to 10.1 GHz while retaining a fractional bandwidth of 0.3%, an insertion loss of 6.94 dB, and a -35dB rejection. We characterize the filter nonlinearity in the passband and stopband with IIP3 measurements of -4.85 dBm and 25.84 dBm, respectively. When integrated with a tunable magnetic field, this device is an octave tunable narrowband channel-select filter.",2312.10583v1 2023-12-17,Cryogenic hybrid magnonic circuits based on spalled YIG thin films,"Yttrium iron garnet (YIG) magnonics has sparked extensive research interests toward harnessing magnons (quasiparticles of collective spin excitation) for signal processing. In particular, YIG magnonics-based hybrid systems exhibit great potentials for quantum information science because of their wide frequency tunability and excellent compatibility with other platforms. However, the broad application and scalability of thin-film YIG devices in the quantum regime has been severely limited due to the substantial microwave loss in the host substrate for YIG, gadolinium gallium garnet (GGG), at cryogenic temperatures. In this study, we demonstrate that substrate-free YIG thin films can be obtained by introducing the controlled spalling and layer transfer technology to YIG/GGG samples. Our approach is validated by measuring a hybrid device consisting of a superconducting resonator and a spalled YIG film, which gives a strong coupling feature indicating the good coherence of our system. This advancement paves the way for enhanced on-chip integration and the scalability of YIG-based quantum devices.",2312.10660v2 2024-02-22,Laser patterning of magnonic structure via local crystallization of Yittrium Iron Garnet,"The fabrication and integration of high-quality structures of Yttrium Iron Garnet (YIG) is critical for magnonics.Films with excellent properties are obtained only on single crystal Gadolinium Gallium Garnet (GGG) substrates using high-temperature processes. The subsequent realization of magnonic structures via lithography and etching is not straightforward as it requires a tight control of the edge roughness, to avoid magnon scattering, and planarization in case of multilayer devices. In this work we describe a different approach based on local laser annealing of amorphous YIG films, avoiding the need for subjecting the entire sample to high thermal budgets and for physical etching. Starting from amorphous and paramagnetic YIG films grown by pulsed laser deposition at room temperature on GGG, a 405 nm laser is used for patterning arbitrary shaped ferrimagnetic structures by local crystallization. In thick films (160 nm) the laser induced surface corrugation prevents the propagation of spin-wave modes in patterned conduits. For thinner films (80 nm) coherent propagation is observed in 1.2 micron wide conduits displaying an attenuation length of 5 micron which is compatible with a damping coefficient of about 5e-3. Possible routes to achieve damping coefficients compatible with state-of-the art epitaxial YIG films are discussed.",2402.14444v1 2018-11-02,Evidence for exchange Dirac gap in magneto-transport of topological insulator-magnetic insulator heterostructures,"Transport signatures of exchange gap opening because of magnetic proximity effect (MPE) are reported for bilayer structures of Bi2Se3 thin films on yttrium iron garnet (YIG) and thulium iron garnet (TmIG) of perpendicular magnetic anisotropy (PMA). Pronounced negative magnetoresistance (MR) was detected, and attributed to an emergent weak localization (WL) effect superimposing on a weak antilocalization (WAL). Thickness-dependent study shows that the WL originates from the time-reversal-symmetry breaking of topological surface states by interfacial exchange coupling. The weight of WL declined when the interfacial magnetization was aligned toward the in-plane direction, which is understood as the effect of tuning the exchange gap size by varying the perpendicular magnetization component. Importantly, magnetotransport study revealed anomalous Hall effect (AHE) of square loops and anisotropic magnetoresistance (AMR) characteristic, typifying a ferromagnetic conductor in Bi2Se3/TmIG, and the presence of an interfacial ferromagnetism driven by MPE. Coexistence of MPE-induced ferromagnetism and the finite exchange gap provides an opportunity of realizing zero magnetic-field dissipation-less transport in topological insulator/ferromagnetic insulator heterostructures.",1811.00689v1 2023-09-06,Strong magnon-magnon coupling in an ultralow damping all-magnetic-insulator heterostructure,"Magnetic insulators such as yttrium iron garnets (YIGs) are of paramount importance for spin-wave or magnonic devices as their ultralow damping enables ultralow power dissipation that is free of Joule heating, exotic magnon quantum state, and coherent coupling to other wave excitations. Magnetic insulator heterostructures bestow superior structural and magnetic properties and house immense design space thanks to the strong and engineerable exchange interaction between individual layers. To fully unleash their potential, realizing low damping and strong exchange coupling simultaneously is critical, which often requires high quality interface. Here, we show that such a demand is realized in an all-insulator thulium iron garnet (TmIG)/YIG bilayer system. The ultralow dissipation rates in both YIG and TmIG, along with their significant spin-spin interaction at the interface, enable strong and coherent magnon-magnon coupling with a benchmarking cooperativity value larger than the conventional ferromagnetic metal-based heterostructures. The coupling strength can be tuned by varying the magnetic insulator layer thickness and magnon modes, which is consistent with analytical calculations and micromagnetic simulations. Our results demonstrate TmIG/YIG as a novel platform for investigating hybrid magnonic phenomena and open opportunities in magnon devices comprising all-insulator heterostructures.",2309.03116v1 2019-05-02,Anomalous spin Hall angle of a metallic ferromagnet determined by a multiterminal spin injection/detection device,"We report on the determination of the anomalous spin Hall angle in the ferromagnetic metal alloy cobalt-iron (Co$_{25}$Fe$_{75}$, CoFe). This is accomplished by measuring the spin injection/detection efficiency in a multiterminal device with nanowires of platinum (Pt) and CoFe deposited onto the magnetic insulator yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$, YIG). Applying a spin-resistor model to our multiterminal spin transport data, we determine the magnon conductivity in YIG, the spin conductance at the YIG/CoFe interface and finally the anomalous spin Hall angle of CoFe as a function of its spin diffusion length in a single device. Our experiments clearly reveal a negative anomalous spin Hall angle of the ferromagnetic metal CoFe, but a vanishing ordinary spin Hall angle. This is in contrast to the results reported for the ferromagnetic metals Co and permalloy.",1905.00663v1 2021-12-07,Coupling function from bath density of states,"Modelling of an open quantum system requires knowledge of parameters that specify how it couples to its environment. However, beyond relaxation rates, realistic parameters for specific environments and materials are rarely known. Here we present a method of inferring the coupling between a generic system and its bosonic (e.g., phononic) environment from the experimentally measurable density of states (DOS). With it we confirm that the DOS of the well-known Debye model for three-dimensional solids is physically equivalent to choosing an Ohmic bath. We further match a real phonon DOS to a series of Lorentzian coupling functions, allowing us to determine coupling parameters for gold, yttrium iron garnet (YIG) and iron as examples. The results illustrate how to obtain material-specific dynamical properties, such as memory kernels. The proposed method opens the door to more accurate modelling of relaxation dynamics, for example for phonon-dominated spin damping in magnetic materials.",2112.04001v2 2012-05-18,Thin film growth by pulsed laser deposition and properties of 122-type iron-based superconductor AE(Fe1--xCox)2As2 (AE = alkaline earth),"This paper reports comprehensive results on thin-film growth of 122-type iron-pnictide superconductors, AE(Fe1-xCox)2As2 (AE = Ca, Sr, and Ba, AEFe2As2:Co) by a pulsed laser deposition method using a neodymium-doped yttrium aluminum garnet laser as an excitation source. The most critical parameter to produce the SrFe2As2:Co and BaFe2As2:Co phases is the substrate temperature (Ts). It is difficult to produce highly-pure CaFe2As2:Co phase thin film at any Ts. For BaFe2As2:Co epitaxial films, controlling Ts at 800-850 {\deg}C and growth rate to 2.8-3.3 {\AA}/s produced high-quality films with good crystallinity, flat surfaces, and high critical current densities > 1 MA/cm2, which were obtained for film thicknesses from 100 to 500 nm. The doping concentration x was optimized for Ba(Fe1-xCox)2As2 epitaxial films, leading to the highest critical temperature of 25.5 K in the epitaxial films with the nominal x = 0.075.",1205.4103v1 2017-11-01,Tunable magnetization relaxation of Fe_{2}Cr_{1-x}Co_{x}Si half-metallic Heusler alloys by band structure engineering,"We report a systematic investigation on the magnetization relaxation properties of iron-based half-metallic Heusler alloy Fe$_{2}$Cr$_{1-x}$Co_${x}$Si (FCCS) thin films using broadband angular-resolved ferromagnetic resonance. Band structure engineering through Co doping (x) demonstrated by first-principles calculations is shown to tune the intrinsic magnetic damping over an order of magnitude, namely 0.01-0.0008. Notably, the intrinsic damping constants for samples with high Co concentration are among the lowest reported for Heusler alloys and even comparable to magnetic insulator yttrium iron garnet. Furthermore, a significant reduction of both isotropic and anisotropic contributions of extrinsic damping of the FCCS alloys was found in the FCCS films with x=0.5-0.75, which is of particular importance for applications. These results demonstrate a practical recipe to tailor functional magnetization for Heusler alloy-based spintronics at room temperature",1711.00406v1 2020-05-28,A First Principle Study on Magneto-Optical Effects and Magnetism in Ferromagnetic Semiconductors Y$_3$Fe$_5$O$_{12}$ and Bi$_3$Fe$_5$O$_{12}$,"The magneto-optical (MO) effects not only are a powerful probe of magnetism and electronic structure of magnetic solids but also have valuable applications in high-density data-storage technology. Yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$) (YIG) and bismuth iron garnet (Bi$_3$Fe$_5$O$_{12}$) (BIG) are two widely used magnetic semiconductors with strong magneto-optical effects and have also attracted the attention for fundamental physics studies. In particular, YIG has been routinely used as a spin current injector. In this paper, we present a thorough theoretical investigation on magnetism, electronic, optical and MO properties of YIG and BIG, based on the density functional theory with the generalized gradient approximation plus onsite Coulomb repulsion. We find that both semiconductors exhibit large MO effects with their Kerr and Faraday rotation angles being comparable to that of best-known MO materials such as MnBi. Especially, the MO Kerr rotation angle for bulk BIG reaches -1.2$ ^{\circ}$ at photon energy $\sim2.4$ eV, and the MO Faraday rotation angle for BIG film reaches -74.6 $ ^{\circ}/\mu m$ at photon energy $\sim2.7$ eV. Furthermore, we also find that both valence and conduction bands across the MO band gap in BIG are purely spin-down states, i.e., BIG is a single spin semiconductor. These interesting findings suggest that the iron garnets will find valuable applications in semiconductor MO and spintronic nanodevices. The calculated optical conductivity spectra, MO Kerr and Faraday rotation angles agree well with the available experimental data. The main features in the optical and MO spectra of both systems are analyzed in terms of the calculated band structures especially by determining the band state symmetries and the main optical transitions at the $\Gamma$ point in the Brillouin zone.",2005.14133v2 2015-04-07,Generation of coherent spin-wave modes in Yttrium Iron Garnet microdiscs by spin-orbit torque,"Spin-orbit effects [1-4] have the potential of radically changing the field of spintronics by allowing transfer of spin angular momentum to a whole new class of materials. In a seminal letter to Nature [5], Kajiwara et al. showed that by depositing Platinum (Pt, a normal metal) on top of a 1.3 $\mu$m thick Yttrium Iron Garnet (YIG, a magnetic insulator), one could effectively transfer spin angular momentum through the interface between these two different materials. The outstanding feature was the detection of auto-oscillation of the YIG when enough dc current was passed in the Pt. This finding has created a great excitement in the community for two reasons: first, one could control electronically the damping of insulators, which can offer improved properties compared to metals, and here YIG has the lowest damping known in nature; second, the damping compensation could be achieved on very large objects, a particularly relevant point for the field of magnonics [6,7] whose aim is to use spin-waves as carriers of information. However, the degree of coherence of the observed auto-oscillations has not been addressed in ref. [5]. In this work, we emphasize the key role of quasi-degenerate spin-wave modes, which increase the threshold current. This requires to reduce both the thickness and lateral size in order to reach full damping compensation [8] , and we show clear evidence of coherent spin-orbit torque induced auto-oscillation in micron-sized YIG discs of thickness 20 nm.",1504.01512v1 2017-08-06,Thermally Driven Long Range Magnon Spin Currents in Yttrium Iron Garnet due to Intrinsic Spin Seebeck Effect,"The longitudinal spin Seebeck effect refers to the generation of a spin current when heat flows across a normal metal/magnetic insulator interface. Until recently, most explanations of the spin Seebeck effect use the interfacial temperature difference as the conversion mechanism between heat and spin fluxes. However, recent theoretical and experimental works claim that a magnon spin current is generated in the bulk of a magnetic insulator even in the absence of an interface. This is the so-called intrinsic spin Seebeck effect. Here, by utilizing a non-local spin Seebeck geometry, we provide additional evidence that the total magnon spin current in the ferrimagnetic insulator yttrium iron garnet (YIG) actually contains two distinct terms: one proportional to the gradient in the magnon chemical potential (pure magnon spin diffusion), and a second proportional to the gradient in magnon temperature ($\nabla T_m$). We observe two characteristic decay lengths for magnon spin currents in YIG with distinct temperature dependences: a temperature independent decay length of ~ 10 ${\mu}$m consistent with earlier measurements of pure ($\nabla T_m = 0$) magnon spin diffusion, and a longer decay length ranging from about 20 ${\mu}$m around 250 K and exceeding 80 ${\mu}$m at 10 K. The coupled spin-heat transport processes are modeled using a finite element method revealing that the longer range magnon spin current is attributable to the intrinsic spin Seebeck effect ($\nabla T_m \neq 0$), whose length scale increases at lower temperatures in agreement with our experimental data.",1708.01941v3 2017-09-21,Electrical properties of single crystal Yttrium Iron Garnet ultra-thin films at high temperatures,"We report a study on the electrical properties of 19 nm thick Yttrium Iron Garnet (YIG) films grown by liquid phase epitaxy. The electrical conductivity and Hall coefficient are measured in the high temperature range [300,400]~K using a Van der Pauw four-point probe technique. We find that the electrical resistivity decreases exponentially with increasing temperature following an activated behavior corresponding to a band-gap of $E_g\approx 2$ eV, indicating that epitaxial YIG ultra-thin films behave as large gap semiconductor, and not as electrical insulator. The resistivity drops to about $5\times 10^3$~$\Omega \cdot \text{cm}$ at $T=400$ K. We also infer the Hall mobility, which is found to be positive ($p$-type) at 5 cm$^2$/(V$\cdot$sec) and about independent of temperature. We discuss the consequence for non-local transport experiments performed on YIG at room temperature. These electrical properties are responsible for an offset voltage (independent of the in-plane field direction) whose amplitude, odd in current, grows exponentially with current due to Joule heating. These electrical properties also induce a sensitivity to the perpendicular component of the magnetic field through the Hall effect. In our lateral device, a thermoelectric offset voltage is produced by a temperature gradient along the wire direction proportional to the perpendicular component of the magnetic field (Righi-Leduc effects).",1709.07207v1 2018-03-02,Long lifetime of thermally-excited magnons in bulk yttrium iron garnet,"Spin currents are generated within the bulk of magnetic materials due to heat flow, an effect called intrinsic spin-Seebeck. This bulk bosonic spin current consists of a diffusing thermal magnon cloud, parametrized by the magnon chemical potential ($\mu_{m}$), with a diffusion length of several microns in yttrium iron garnet (YIG). Transient opto-thermal measurements of the spin-Seebeck effect (SSE) as a function of temperature reveal the time evolution of $\mu_{m}$ due to intrinsic SSE in YIG. The interface SSE develops at times < 2 ns while the intrinsic SSE signal continues to evolve at times > 500 $\mu$s, dominating the temperature dependence of SSE in bulk YIG. Time-dependent SSE data are fit to a multi-temperature model of coupled spin/heat transport using finite element method (FEM), where the magnon spin lifetime ($\tau$) and magnon-phonon thermalization time ($\tau_{mp}$) are used as fit parameters. From 300 K to 4 K, $\tau_{mp}$ varies from 1 to 10 ns, whereas $\tau$ varies from 2 to 60 $\mu$s with the spin lifetime peaking at 90 K. At low temperature, a reduction in $\tau$ is observed consistent with impurity relaxation reported in ferromagnetic resonance measurements. These results demonstrate that the thermal magnon cloud in YIG contains extremely low frequency magnons (~10 GHz) providing spectral insight to the microscopic scattering processes involved in magnon spin/heat diffusion.",1803.01054v3 2019-03-19,Magnetic properties and domain structure of ultrathin yttrium iron garnet/Pt bilayers,"We report on the structure, magnetization, magnetic anisotropy, and domain morphology of ultrathin yttrium iron garnet (YIG)/Pt films with thickness ranging from 3 to 90 nm. We find that the saturation magnetization is close to the bulk value in the thickest films and decreases towards low thickness with a strong reduction below 10 nm. We characterize the magnetic anisotropy by measuring the transverse spin Hall magnetoresistance as a function of applied field. Our results reveal strong easy plane anisotropy fields of the order of 50-100 mT, which add to the demagnetizing field, as well as weaker in-plane uniaxial anisotropy ranging from 10 to 100 $\mu$T. The in-plane easy axis direction changes with thickness, but presents also significant fluctuations among samples with the same thickness grown on the same substrate. X-ray photoelectron emission microscopy reveals the formation of zigzag magnetic domains in YIG films thicker than 10 nm, which have dimensions larger than several 100 $\mu$m and are separated by achiral N\'{e}el-type domain walls. Smaller domains characterized by interspersed elongated features are found in YIG films thinner than 10 nm.",1903.08285v1 2021-04-21,Atomic Layer Deposition of Yttrium Iron Garnet Thin Films for 3D Magnetic Structures,"A wide variety of new phenomena such as novel magnetization configurations have been predicted to occur in three dimensional magnetic nanostructures. However, the fabrication of such structures is often challenging due to the specific shapes required, such as magnetic tubes and spirals. Furthermore, the materials currently used to assemble these structures are predominantly magnetic metals that do not allow to study the magnetic response of the system separately from the electronic one. In the field of spintronics, the prototypical material used for such experiments is the ferrimagnetic insulator yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$, YIG). YIG is one of the best materials especially for magnonic studies due to its low Gilbert damping. Here, we report the first successful fabrication of YIG thin films via atomic layer deposition. To that end we utilize a supercycle approach based on the combination of sub-nanometer thin layers of the binary systems Fe$_2$O$_3$ and Y$_2$O$_3$ in the correct atomic ratio on Y$_3$Al$_5$O$_{12}$ substrates with a subsequent annealing step. Our process is robust against typical growth-related deviations, ensuring a good reproducibility. The ALD-YIG thin films exhibit a good crystalline quality as well as magnetic properties comparable to other deposition techniques. One of the outstanding characteristics of atomic layer deposition is its ability to conformally coat arbitrarily-shaped substrates. ALD hence is the ideal deposition technique to grant an extensive freedom in choosing the shape of the magnetic system. The atomic layer deposition of YIG enables the fabrication of novel three dimensional magnetic nanostructures, which in turn can be utilized for experimentally investigating the phenomena predicted in those structures.",2104.10293v2 2019-05-29,Coherent long-range transfer of angular momentum between magnon Kittel modes by phonons,"We report ferromagnetic resonance in the normal configuration of an electrically insulating magnetic bilayer consisting of two yttrium iron garnet (YIG) films epitaxially grown on both sides of a 0.5-mm-thick nonmagnetic gadolinium gallium garnet (GGG) slab. An interference pattern is observed and it is explained as the strong coupling of the magnetization dynamics of the two YIG layers either in phase or out of phase by the standing transverse sound waves, which are excited through a magnetoelastic interaction. This coherent mediation of angular momentum by circularly polarized phonons through a nonmagnetic material over macroscopic distances can be useful for future information technologies.",1905.12523v3 2019-06-28,Spin transport in an insulating ferrimagnetic-antiferromagnetic-ferrimagnetic trilayer as a function of temperature,"We present a study of the transport properties of thermally generated spin currents in an insulating ferrimagnetic-antiferromagnetic-ferrimagnetic trilayer over a wide range of temperature. Spin currents generated by the spin Seebeck effect (SSE) in a yttrium iron garnet (YIG) YIG/NiO/YIG trilayer on a gadolinium gallium garnet (GGG) substrate were detected using the inverse spin Hall effect in Pt. By studying samples with different NiO thicknesses, the NiO spin diffusion length was determined to be 4.2 nm at room temperature. Interestingly, below 30 K, the inverse spin Hall signals are associated with the GGG substrate. The field dependence of the signal follows a Brillouin function for a S=7/2 spin ($\mathrm{Gd^{3+}}$) at low temperature. Sharp changes in the SSE signal at low fields are due to switching of the YIG magnetization. A broad peak in the SSE response was observed around 100 K, which we associate with an increase in the spin-diffusion length in YIG. These observations are important in understanding the generation and transport properties of spin currents through magnetic insulators and the role of a paramagnetic substrate in spin current generation.",1906.12288v1 2020-08-21,Magnons Parametric Pumping in Bulk Acoustic Waves Resonator,"We report on the experimental observation of excitation and detection of parametric spin waves and spin currents in the bulk acoustic wave resonator. The hybrid resonator consists of ZnO piezoelectric film, yttrium iron garnet (YIG) films on gallium gadolinium garnet substrate, and a heavy metal Pt layer. Shear bulk acoustic waves are electrically excited in the ZnO layer due to piezoeffect at the resonant frequencies of the resonator. The magnetoelastic interaction in the YIG film emerges magnons (spin waves) excitation by acoustic waves either on resonator's eigenfrequencies or the half-value frequencies at supercritical power. We investigate acoustic pumping of magnons at the half-value frequencies and acoustic spin pumping from parametric magnons, using the inverse spin Hall effect in the Pt layer. The constant electric voltage in the Pt layer, depending on the frequency, the magnetic field, and the pump power, was systematically studied. We explain the low threshold obtained (~0.4 mW) by the high efficiency of electric power transmission into the acoustic wave in the resonator.",2008.09520v1 2020-09-06,Enhancement of YIG$|$Pt spin conductance by local Joule annealing,"We report that Joule heating can be used to enhance the interfacial spin conductivity between a metal and an oxide. We observe that local annealing of the interface at about 550\,K by injecting large current densities ($>10^{12}\text{A/m}^{2}$) into a pristine 7\,nm thick Pt nanostrip evaporated on top of yttrium iron garnet (YIG), can improve the spin transmission up to a factor 3: a result of particular interest for interfacing ultra thin garnet films where strong chemical etching of the surface has to be avoided. The effect is confirmed by different methods: spin Hall magnetoresistance, spin pumping and non-local spin transport. We use it to study the influence of the YIG$|$Pt coupling on the non-linear spin transport properties. We find that the cross-over current from a linear to a non-linear spin transport regime is independent of this coupling, suggesting that the behavior of pure spin currents circulating in the dielectric are mostly governed by the physical properties of the bare YIG film beside the Pt nanostrip.",2009.02785v1 2020-11-15,A tunable magneto-acoustic oscillator with low phase noise,"A frequency-tunable low phase noise magneto-acoustic resonator is developed on the base of a parallel-plate straight-edge bilayer consisting of a yttrium-iron garnet (YIG) layer grown on a substrate of a gallium-gadolinium garnet(GGG). When a YIG/GGG sample forms an ideal parallel plate, it supports a series of high-quality-factor acoustic modes standing along the plate thickness. Due to the magnetostriction of the YIG layer the ferromagnetic resonance (FMR) mode of the YIG layer can strongly interact with the acoustic thickness modes of the YIG/GGG structure, when the modes' frequencies match. A particular acoustic thickness mode used for the resonance excitations of the hybrid magneto-acoustic oscillations in a YIG/GGG bilayer is chosen by the YIG layer FMR frequency, which can be tuned by the variation of the external bias magnetic field. A composite magneto-acoustic oscillator, which includes an FMR-based resonance pre-selector, is developed to guarantee satisfaction of the Barkhausen criteria for a single-acoustic-mode oscillation regime. The developed low phase noise composite magneto-acoustic oscillator can be tuned from 0.84 GHz to 1 GHz with an increment of about 4.8 MHz (frequency distance between the adjacent acoustic thickness modes in a YIG/GGG parallel plate), and demonstrates the phase noise of -116 dBc/Hz at the offset frequency of 10 kHz.",2011.07648v1 2021-09-13,Control of magnetization dynamics by substrate orientation in YIG thin films,"Yttrium Iron Garnet (YIG) and bismuth (Bi) substituted YIG (Bi0.1Y2.9Fe5O12, BYG) films are grown in-situ on single crystalline Gadolinium Gallium Garnet (GGG) substrates [with (100) and (111) orientations] using pulsed laser deposition (PLD) technique. As the orientation of the Bi-YIG film changes from (100) to (111), the lattice constant is enhanced from 12.384 {\AA} to 12.401 {\AA} due to orientation dependent distribution of Bi3+ ions at dodecahedral sites in the lattice cell. Atomic force microscopy (AFM) images show smooth film surfaces with roughness 0.308 nm in Bi-YIG (111). The change in substrate orientation leads to the modification of Gilbert damping which, in turn, gives rise to the enhancement of ferromagnetic resonance (FMR) line width. The best values of Gilbert damping are found to be (0.54)*10-4, for YIG (100) and (6.27)*10-4, for Bi-YIG (111) oriented films. Angle variation measurements of the Hr are also performed, that shows a four-fold symmetry for the resonance field in the (100) grown film. In addition, the value of effective magnetization (4{\pi}Meff) and extrinsic linewidth ({\Delta}H0) are observed to be dependent on substrate orientation. Hence PLD growth can assist single-crystalline YIG and BYG films with a perfect interface that can be used for spintronics and related device applications.",2109.05901v1 2022-03-12,Observation of nonlinear planar Hall effect in magnetic insulator/topological insulator heterostructures,"Interfacing topological insulators (TIs) with magnetic insulators (MIs) has been widely used to study the interaction between topological surface states and magnetism. Previous transport studies typically interpret the suppression of weak antilocalization or appearance of the anomalous Hall effect as signatures of magnetic proximity effect (MPE) imposed to TIs. Here, we report the observation of nonlinear planar Hall effect (NPHE) in Bi2Se3 films grown on MI thulium and yttrium iron garnet (TmIG and YIG) substrates, which is an order of magnitude larger than that in Bi2Se3 grown on nonmagnetic gadolinium gallium garnet (GGG) substrate. The nonlinear Hall resistance in TmIG/Bi2Se3 depends linearly on the external magnetic field, while that in YIG/Bi2Se3 exhibits an extra hysteresis loop around zero field. The magnitude of the NPHE is found to scale inversely with carrier density. We speculate the observed NPHE is related to the MPE-induced exchange gap opening and out-of-plane spin textures in the TI surface states, which may be used as an alternative transport signature of the MPE in MI/TI heterostructures.",2203.06293v2 2022-12-05,Propagating spin-wave spectroscopy in nanometer-thick YIG films at millikelvin temperatures,"Performing propagating spin-wave spectroscopy of thin films at millikelvin temperatures is the next step towards the realisation of large-scale integrated magnonic circuits for quantum applications. Here we demonstrate spin-wave propagation in a $100\,\mathrm{nm}$-thick yttrium-iron-garnet film at the temperatures down to $45 \,\mathrm{mK}$, using stripline nanoantennas deposited on YIG surface for the electrical excitation and detection. The clear transmission characteristics over the distance of $10\,\mu \mathrm{m}$ are measured and the subtracted spin-wave group velocity and the YIG saturation magnetisation agree well with the theoretical values. We show that the gadolinium-gallium-garnet substrate influences the spin-wave propagation characteristics only for the applied magnetic fields beyond $75\,\mathrm{mT}$, originating from a GGG magnetisation up to $47 \,\mathrm{kA/m}$ at $45 \,\mathrm{mK}$. Our results show that the developed fabrication and measurement methodologies enable the realisation of integrated magnonic quantum nanotechnologies at millikelvin temperatures.",2212.02257v3 2023-07-20,The challenges of measuring spin Seebeck noise,"Just as electronic shot noise in driven conductors results from the granularity of charge and the statistical variation in the arrival times of charge carriers, there are predictions for fundamental noise in magnon currents due to angular momentum being carried by discrete excitations. The inverse spin Hall effect as a transduction mechanism to convert spin current into charge current raises the prospect of experimental investigations of such magnon shot noise. Spin Seebeck effect measurements have demonstrated the electrical detection of thermally driven magnon currents and have been suggested as an avenue for accessing spin current fluctuations. Using spin Seebeck structures made from yttrium iron garnet on gadolinium gallium garnet, we demonstrate the technical challenges inherent in such noise measurements. While there is a small increase in voltage noise in the inverse spin Hall detector at low temperatures associated with adding a magnetic field, the dependence on field orientation implies that this is not due to magnon shot noise. We describe theoretical predictions for the expected magnitude of magnon shot noise, highlighting ambiguities that exist. Further, we show that magnon shot noise detection through the standard inverse spin Hall approach is likely impossible due to geometric factors. Implications for future attempts to measure magnon shot noise are discussed.",2307.11218v2 2005-04-22,Perturbation of magnetostatic modes observed by FMRFM,"Magnetostatic modes of Yttrium Iron Garnet (YIG) films are investigated by ferromagnetic resonance force microscopy (FMRFM). A thin film ``probe'' magnet at the tip of a compliant cantilever introduces a local inhomogeneity in the internal field of the YIG sample. This influences the shape of the sample's magnetostatic modes, thereby measurably perturbing the strength of the force coupled to the cantilever. We present a theoretical model that explains these observations; it shows that tip-induced variation of the internal field creates either a local ``potential barrier'' or ``potential well'' for the magnetostatic waves. The data and model together indicate that local magnetic imaging of ferromagnets is possible, even in the presence of long-range spin coupling, through the induction of localized magnetostatic modes predicted to arise from sufficiently strong tip fields.",0504598v1 2007-04-24,Element-resolved x-ray ferrimagnetic and ferromagnetic resonance spectroscopy,"We report on the measurement of element-specific magnetic resonance spectra at gigahertz frequencies using x-ray magnetic circular dichroism (XMCD). We investigate the ferrimagnetic precession of Gd and Fe ions in Gd-substituted Yttrium Iron Garnet, showing that the resonant field and linewidth of Gd precisely coincide with Fe up to the nonlinear regime of parametric excitations. The opposite sign of the Gd x-ray magnetic resonance signal with respect to Fe is consistent with dynamic antiferromagnetic alignment of the two ionic species. Further, we investigate a bilayer metal film, Ni$_{80}$Fe$_{20}$(5 nm)/Ni(50 nm), where the coupled resonance modes of Ni and Ni$_{80}$Fe$_{20}$ are separately resolved, revealing shifts in the resonance fields of individual layers but no mutual driving effects. Energy-dependent dynamic XMCD measurements are introduced, combining x-ray absorption and magnetic resonance spectroscopies.",0704.3139v2 2007-12-11,Reflection-Free One-Way Edge Modes in a Gyromagnetic Photonic Crystal,"We point out that electromagnetic one-way edge modes analogous to quantum Hall edge states, originally predicted by Raghu and Haldane in 2D gyroelectric photonic crystals possessing Dirac point-derived bandgaps, can appear in more general settings. In particular, we show that the TM modes in a gyromagnetic photonic crystal can be formally mapped to electronic wavefunctions in a periodic electromagnetic field, so that the only requirement for the existence of one-way edge modes is that the Chern number for all bands below a gap is non-zero. In a square-lattice gyromagnetic Yttrium-Iron-Garnet photonic crystal operating at microwave frequencies, which lacks Dirac points, time-reversal breaking is strong enough that the effect should be easily observable. For realistic material parameters, the edge modes occupy a 10% band gap. Numerical simulations of a one-way waveguide incorporating this crystal show 100% transmission across strong defects, such as perfect conductors several lattice constants wide, larger than the width of the waveguide.",0712.1776v2 2008-04-07,Phase reciprocity of spin-wave excitation by a microstrip antenna,"Using space-, time- and phase-resolved Brillouin light scattering spectroscopy we investigate the difference in phase of the two counterpropagating spin waves excited by the same microwave microstrip transducer. These studies are performed both for backward volume magnetostatic waves and magnetostatic surface waves in an in-plane magnetized yttrium iron garnet film. The experiments show that for the backward volume magnetostatic spin waves (which are reciprocal and excited symmetrically in amplitude) there is a phase difference of $\pi$ associated with the excitation process and thus the phase symmetry is distorted. On the contrary, for the magnetostatic surface spin waves (which are non-reciprocal and unsymmetrical in amplitude) the phase symmetry is preserved (there is no phase difference between the two waves associated with the excitation). Theoretical analysis confirms this effect.",0804.1090v1 2008-12-24,Design and optimization of one-dimensional ferrite-film based magnonic crystals,"One-dimensional magnonic crystals have been implemented as gratings of shallow grooves chemically etched into the surface of yttrium-iron garnet films. Scattering of backward volume magnetostatic spin waves from such structures is investigated experimentally and theoretically. Well-defined rejection frequency bands are observed in transmission characteristics of the magnonic crystals. The loss inserted by the gratings and the rejections bands bandwidths are studied as a function of the film thickness, the groove depth, the number of grooves, and the groove width. The experimental data are well described by a theoretical model based on the analogy of a spin-wave film-waveguide with a microwave transmission line. Our study shows that magnonic crystals with required operational characteristics can be engineered by adjusting these geometrical parameters.",0812.4553v1 2009-02-18,Theory of coherence in Bose-Einstein condensation phenomena in a microwave driven interacting magnon gas,"Strong experimental evidences of the formation of quasi-equilibrium Bose-Einstein condensation (BEC) of magnons at room temperature in a film of yttrium iron garnet (YIG) excited by microwave radiation have been recently reported. Here we present a theory for the magnon gas driven by a microwave field far out of equilibrium showing that the nonlinear magnetic interactions create cooperative mechanisms for the onset of a phase transition leading to the spontaneous generation of quantum coherence and magnetic dynamic order in a macroscopic scale. The theory provides rigorous support for the formation of a BEC of magnons in a YIG film magnetized in the plane. We show that the system develops coherence only when the microwave driving power exceeds a threshold value and that the theoretical result for the intensity of the Brillouin light scattering from the BEC as a function of power agrees with the experimental data. The theory also explains quantitatively experimental measurements of microwave emission from the uniform mode generated by the confluence of BEC magnon pairs in a YIG film when the driving power exceeds a critical value.",0902.3138v1 2009-07-16,Reverse Doppler effect in backward spin waves scattered on acoustic waves,"We report on the observation of reverse Doppler effect in backward spin waves reflected off of surface acoustic waves. The spin waves are excited in a yttrium iron garnet (YIG) film. Simultaneously, acoustic waves are also generated. The strain induced by the acoustic waves in the magnetostrictive YIG film results in the periodic modulation of the magnetic anisotropy in the film. Thus, in effect, a travelling Bragg grating for the spin waves is produced. The backward spin waves reflecting off of this grating exhibit a reverse Doppler shift: shifting down rather than up in frequency when reflecting off of an approaching acoustic wave. Similarly, the spin waves are shifted up in frequency when reflecting from receding acoustic waves.",0907.2902v1 2009-12-16,Parametric pumping and kinetics of magnons in dipolar ferromagnets,"The time evolution of magnons subject to a time-dependent microwave field is usually described within the so-called ""S-theory"", where kinetic equations for the distribution function are obtained within the time-dependent Hartree-Fock approximation. To explain the recent observation of ""Bose-Einstein condensation of magnons"" in an external microwave field [Demokritov et al., Nature 443, 430 (2006)], we extend the ""S-theory"" to include the Gross-Pitaevskii equation for the time-dependent expectation values of the magnon creation and annihilation operators. We explicitly solve the resulting coupled equations within a simple approximation where only a single condensed mode is retained. We also re-examine the usual derivation of an effective boson model from a realistic spin model for yttrium-iron garnet films and argue that in the parallel pumping geometry (where both the static and the time-dependent magnetic field are parallel to the macroscopic magnetization) the time-dependent Zeemann energy cannot give rise to magnon condensation.",0912.3254v2 2011-03-11,Spin pumping by parametrically excited exchange magnons,"We experimentally show that exchange magnons can be detected using a combination of spin pumping and inverse spin-Hall effect (iSHE) proving its wavelength integrating capability down to the sub-micrometer scale. The magnons were injected in a ferrimagnetic yttrium iron garnet film by parametric pumping and the iSHE-induced voltage was detected in an attached Pt layer. The role of the density, wavelength, and spatial localization of the magnons for the spin pumping efficiency is revealed. This study opens the field of the magnon-based information processing to magnons with nano-scale wavelengths.",1103.2229v2 2011-11-08,Time-dependent spin-wave theory,"We generalize the spin-wave expansion in powers of the inverse spin to time-dependent quantum spin models describing rotating magnets or magnets in time-dependent external fields. We show that in these cases, the spin operators should be projected onto properly defined rotating reference frames before the spin components are bosonized using the Holstein-Primakoff transformation. As a first application of our approach, we calculate the reorganization of the magnetic state due to Bose-Einstein condensation of magnons in the magnetic insulator yttrium-iron garnet; we predict a characteristic dip in the magnetization which should be measurable in experiments.",1111.2052v2 2011-12-21,Direct detection of magnon spin transport by the inverse spin Hall effect,"Conversion of traveling magnons into an electron carried spin current is demonstrated in a time resolved experiment using a spatially separated inductive spin-wave source and an inverse spin Hall effect (ISHE) detector. A short spin-wave packet is excited in a yttrium-iron garnet (YIG) waveguide by a microwave signal and is detected at a distance of 3 mm by an attached Pt layer as a delayed ISHE voltage pulse. The delay in the detection appears due to the finite spin-wave group velocity and proves the magnon spin transport. The experiment suggests utilization of spin waves for the information transfer over macroscopic distances in spintronic devices and circuits.",1112.4969v1 2012-05-20,Brillouin light scattering spectroscopy of parametrically excited dipole-exchange magnons,"The spectral distribution of parametrically excited dipole-exchange magnons in an in-plane magnetized epitaxial film of yttrium-iron garnet was studied by means of frequency- and wavevector-resolved Brillouin light scattering spectroscopy. The experiment was performed in a parallel pumping geometry where an exciting microwave magnetic field was parallel to the magnetizing field. It was found that for both dipolar and exchange spectral areas parallel pumping excites the lowest volume magnon modes propagating in the film plane perpendicularly to the magnetization direction. In order to interpret the experimental observations, we used a microscopic Heisenberg model that includes exchange as well as dipole-dipole interactions to calculate the magnon spectrum and construct the eigenstates. As proven in our calculations, the observed magnons are characterized by having the highest possible ellipticity of precession which suggests the lowest threshold of parametric generation. Applying different pumping powers we observe modifications in the magnon spectrum that are described theoretically by a softening of the spin stiffness.",1205.4396v1 2012-06-28,Frequency and power dependence of spin-current emission by spin pumping in a thin film YIG/Pt system,"This paper presents the frequency dependence of the spin current emission in a hybrid ferrimagnetic insulator/normal metal system. The system is based on a ferrimagnetic insulating thin film of Yttrium Iron Garnet (YIG, 200 nm) grown by liquid-phase-epitaxy (LPE) coupled with a normal metal with a strong spin-orbit coupling (Pt, 15 nm). The YIG layer presents an isotropic behaviour of the magnetization in the plane, a small linewidth, and a roughness lower than 0.4 nm. Here we discuss how the voltage signal from the spin current detector depends on the frequency [0.6 - 7 GHz], the microwave power, Pin, [1 - 70 mW], and the in-plane static magnetic field. A strong enhancement of the spin current emission is observed at low frequencies, showing the appearance of non-linear phenomena.",1206.6671v2 2012-07-25,High cooperativity in coupled microwave resonator ferrimagnetic insulator hybrids,"We report the observation of strong coupling between the exchange-coupled spins in gallium-doped yttrium iron garnet and a superconducting coplanar microwave resonator made from Nb. The measured coupling rate of 450 MHz is proportional to the square-root of the number of exchange-coupled spins and well exceeds the loss rate of 50 MHz of the spin system. This demonstrates that exchange coupled systems are suitable for cavity quantum electrodynamics experiments, while allowing high integration densities due to their extraordinary high spin densities. Our results furthermore show, that experiments with multiple exchange-coupled spin systems interacting via a single resonator are within reach.",1207.6039v2 2012-11-05,Investigation of induced Pt magnetic polarization in Pt/Y3Fe5O12 bilayers,"Using X-ray magnetic circular dichroism (XMCD) measurements, we explore the possible existence of induced magnetic moments in thin Pt films deposited onto the ferrimagnetic insulator yttrium iron garnet (Y3Fe5O12). Such a magnetic proximity effect is well established for Pt/ferromagnetic metal heterostructures. Indeed, we observe a clear XMCD signal at the Pt L3 edge in Pt/Fe bilayers, while no such signal can be discerned in XMCD traces of Pt/Y3Fe5O12 bilayers. Integrating the XMCD signals allows to estimate an upper limit for the induced Pt magnetic polarization in Pt/Y3Fe5O12 bilayers.",1211.0916v1 2012-12-10,Heat-induced damping modification in YIG/Pt hetero-structures,"We experimentally demonstrate the manipulation of magnetization relaxation utilizing a temperature difference across the thickness of an yttrium iron garnet/platinum (YIG/Pt) hetero-structure: the damping is either increased or decreased depending on the sign of the temperature gradient. This effect might be explained by a thermally-induced spin torque on the magnetization precession. The heat-induced variation of the damping is detected by microwave techniques as well as by a DC voltage caused by spin pumping into the adjacent Pt layer and the subsequent conversion into a charge current by the inverse spin Hall effect.",1212.2073v1 2013-02-06,Theory of spin Hall magnetoresistance,"We present a theory of the spin Hall magnetoresistance (SMR) in multilayers made from an insulating ferromagnet F, such as yttrium iron garnet (YIG), and a normal metal N with spin-orbit interactions, such as platinum (Pt). The SMR is induced by the simultaneous action of spin Hall and inverse spin Hall effects and therefore a non-equilibrium proximity phenomenon. We compute the SMR in F$|$N and F$|$N$|$F layered systems, treating N by spin-diffusion theory with quantum mechanical boundary conditions at the interfaces in terms of the spin-mixing conductance. Our results explain the experimentally observed spin Hall magnetoresistance in N$|$F bilayers. For F$|$N$|$F spin valves we predict an enhanced SMR amplitude when magnetizations are collinear. The SMR and the spin-transfer torques in these trilayers can be controlled by the magnetic configuration.",1302.1352v1 2013-04-08,YIG thickness and frequency dependence of the spin-charge current conversion in YIG/Pt systems,"We report the frequency dependence of the spin current emission in a hybrid ferrimagnetic insulator/normal metal system as function of the insulating layer thickness. The system is based on a yttrium iron garnet (YIG) film [0.2, 1, and 3 \mu m] grown by liquid-phase-epitaxy coupled with a spin current detector of platinum [6 nm]. A strong YIG thickness dependence of the efficiency of the spin pumping has been observed. The highest conversion factor \Delta V/P_{abs} has been demonstrated for the thinner YIG (1.79 and 0.55 mV/mW^{-1} at 2.5 and 10 GHz, respectively) which presents an interest for the realisation of YIG-based devices. A strong YIG thickness dependence of the efficiency of the spin pumping has been also observed and we demonstrate the threshold frequency dependence of the three-magnon splitting process.",1304.2190v1 2013-05-14,Exchange magnetic field torques in YIG/Pt bilayers observed by the spin-Hall magnetoresistance,"The effective field torque of an yttrium-iron-garnet film on the spin accumulation in an attached Pt film is measured by the spin-Hall magnetoresistance (SMR). As a result, the magnetization direction of a ferromagnetic insulating layer can be measured electrically. Experimental transverse and longitudinal resistances are well described by the theoretical model of SMR in terms of the direct and inverse spin-Hall effect, for different Pt thicknesses [3, 4, 8 and 35nm]. Adopting a spin-Hall angle of Pt $\theta_{SH}=0.08$, we obtain the spin diffusion length of Pt ($\lambda=1.1\pm0.3$nm) as well as the real ($G_r=(7\pm3)\times10^{14}\Omega^{-1}$m$^{-2}$) and imaginary part ($G_i=(5\pm3)\times10^{13}\Omega^{-1}$m$^{-2}$) of the spin-mixing conductance and their ratio ($G_r/G_i=16\pm4$).",1305.3117v2 2013-06-20,Experimental test of the spin mixing interface conductivity concept,"We perform a quantitative, comparative study of the spin pumping, spin Seebeck and spin Hall magnetoresistance effects, all detected via the inverse spin Hall effect in a series of over 20 yttrium iron garnet/Pt samples. Our experimental results fully support present, exclusively spin current-based, theoretical models using a single set of plausible parameters for spin mixing conductance, spin Hall angle and spin diffusion length. Our findings establish the purely spintronic nature of the aforementioned effects and provide a quantitative description in particular of the spin Seebeck effect.",1306.5012v1 2013-07-29,Current-induced spin wave excitation in Pt|YIG bilayer,"We develop a self-consistent theory for current-induced spin wave excitations in normal metal-magnetic insulator bilayer systems, thereby establishing the relation between spin wave excitation and the experimentally controlled parameters. We fully take into account the complex spin wave spectrum including dipolar interactions and surface anisotropy as well as the spin-pumping at the interface. Our results focus on the mode-dependent power close to the critical currents for spin wave excitation. The major findings are (a) the spin transfer torque can excite different spin-wave modes simultaneously; (b) spin pumping counterbalances spin-transfer torque and affects the surface modes more than the bulk modes; (c) spin pumping inhibits high frequency spin-wave modes, thereby redshifting the excitation spectrum. We can get agreement with experiments on yttrium iron garnet|platinum bilayers by postulating the existence of surface anisotropy modes.",1307.7607v2 2013-09-16,Time resolved spin Seebeck effect experiments,"In this Letter, we present the results of transient thermopower experiments, performed at room temperature on yttrium iron garnet/platinum bilayers. Upon application of a time-varying thermal gradient, we observe a characteristic low-pass frequency response of the ensuing thermopower voltage with cutoff frequencies of up to 37 MHz. We interpret our results in terms of the spin Seebeck effect, and argue that small wavevector magnons are of minor importance for the spin Seebeck effect in our thin film hybrid structures.",1309.3986v2 2013-11-19,Observation of the spin Peltier effect,"We report the observation of the spin Peltier effect (SPE) in the ferrimagnetic insulator Yttrium Iron Garnet (YIG), i.e. a heat current generated by a spin current flowing through a Platinum (Pt)|YIG interface. The effect can be explained by the spin torque that transforms the spin current in the Pt into a magnon current in the YIG. Via magnon-phonon interactions the magnetic fluctuations modulate the phonon temperature that is detected by a thermopile close to the interface. By finite-element modelling we verify the reciprocity between the spin Peltier and spin Seebeck effect. The observed strong coupling between thermal magnons and phonons in YIG is attractive for nanoscale cooling techniques.",1311.4772v1 2014-01-30,Temperature dependent spin transport properties of Platinum inferred from spin Hall magnetoresistance measurements,"We study the temperature dependence of the spin Hall magnetoresistance (SMR) in yttrium iron garnet/platinum hybrid structures via magnetization orientation dependent magnetoresistance measurements. Our experiments show a decrease of the SMR magnitude with decreasing temperature. Using the sensitivity of the SMR to the spin transport properties of the normal metal, we interpret our data in terms of a decrease of the spin Hall angle in platinum from 0.11 at room temperature to 0.075 at 10K, while the spin diffusion length and the spin mixing conductance of the ferrimagnetic insulator/normal metal interface remain almost constant.",1401.7787v4 2014-03-02,Generalized two-temperature model for coupled phonon-magnon diffusion,"We generalize the two-temperature model [Sanders and Walton, Phys. Rev. B, 15, 1489 (1977)] for coupled phonon-magnon diffusion to include the effect of the concurrent magnetization flow. Working within the framework of Boltzmann transport equation, we derive the constitutive equations for coupled phonon-magnon transport driven by gradients of both temperature and external magnetic fields, and the corresponding conservation laws. Our equations reduce to the original Sanders-Walton two-temperature model under a uniform external field, but predict a new magnon cooling effect driven by a non-uniform magnetic field in a homogeneous single-domain ferromagnet. We estimate the magnitude of the cooling effect in yttrium iron garnet, and show it is within current experimental reach. With properly optimized materials, the predicted cooling effect can potentially supplement the conventional magnetocaloric effect in cryogenic applications in the future.",1403.0279v1 2014-03-04,Off-Resonant Manipulation of Spins in Diamond via Precessing Magnetization of a Proximal Ferromagnet,"We report the manipulation of nitrogen vacancy (NV) spins in diamond when nearby ferrimagnetic insulator, yttrium iron garnet, is driven into precession. The change in NV spin polarization, as measured by changes in photoluminescence, is comparable in magnitude to that from conventional optically detected magnetic resonance, but relies on a distinct mechanism as it occurs at a microwave frequency far removed from the magnetic resonance frequency of the NV spin. This observation presents a new approach to transferring ferromagnetic spin information into a paramagnet and then transducing the response into a robust optical signal. It also opens new avenues for studying ferromagnetism and spin transport at the nanoscale.",1403.0656v1 2014-05-06,Hybridizing ferromagnetic magnons and microwave photons in the quantum limit,"We demonstrate large normal-mode splitting between a magnetostatic mode (the Kittel mode) in a ferromagnetic sphere of yttrium iron garnet and a microwave cavity mode. Strong coupling is achieved in the quantum regime where the average number of thermally or externally excited magnons and photons is less than one. We also confirm that the coupling strength is proportional to the square root of the number of spins. A nonmonotonic temperature dependence of the Kittel-mode linewidth is observed below 1 K and is attributed to the dissipation due to the coupling with a bath of two-level systems.",1405.1913v2 2014-06-14,Electric-field coupling to spin waves in a centrosymmetric ferrite,"We experimentally demonstrate that the spin-orbit interaction can be utilized for direct electric-field tuning of the propagation of spin waves in a single-crystal yttrium iron garnet magnonic waveguide. Magnetoelectric coupling not due to the spin-orbit interaction, and hence an order of magnitude weaker, leads to electric-field modification of the spin-wave velocity for waveguide geometries where the spin-orbit interaction will not contribute. A theory of the phase shift, validated by the experiment data, shows that, in the exchange spin wave regime, this electric tuning can have high efficiency. Our findings point to an important avenue for manipulating spin waves and developing electrically tunable magnonic devices.",1406.3675v1 2014-07-29,Motion of domain walls and the dynamics of kinks in the magnetic Peierls potential,"We study the dynamics of magnetic domain walls in the Peierls potential due to the discreteness of the crystal lattice. The propagation of a narrow domain wall (comparable to the lattice parameter) under the effect of a magnetic field proceeds through the formation of kinks in its profile. We predict that, despite the discreteness of the system, such kinks can behave like sine-Gordon solitons in thin films of materials such as yttrium iron garnets, and we derive general conditions for other materials. In our simulations we also observe long-lived breathers. We provide analytical expressions for the effective mass and limiting velocity of the kink in excellent agreement with our numerical results.",1407.7754v1 2014-08-06,Observation of Magnonic Band Gaps in Magnonic Crystals with Nopnreciprocal Dispersion Relation,"An effect of metallization of the magnonic crystal surface on the band gaps formation in the spectra of the surface spin wave (SSW) is studied both theoretically and experimentally. The structures under consideration are one-dimensional magnonic crystals based on yttrium iron garnet with an array of etched grooves with metal screen on the top of the corrugated surface and without it. Due to nonreciprocity of propagation of the SSW the shift of band gap to higher frequency and from the border of the Brillouin zone in presence of conducting overlayer was measured in transmission line experiment. Results of numerical calculations and model analysis are in agreement with experimental data and give further insight into origin of the band gap and properties of the nonreciprocal SSW in metallized magnonic crystals. This gives positive answer to the outstanding question about possibility of detection of magnonic band gaps in the spectra of the spin waves with nonreciprocal dispersion in magnonic crystals and creates potential for new applications and improvements of already existing prototype magnonic devices.",1408.1221v2 2014-09-19,Perpendicularly Biased YIG Tuners for the Fermilab Recycler 52.809 MHz Cavities,"For NOvA and future experiments requiring high intensity proton beams, Fermilab is in the process of upgrading the existing accelerator complex for increased proton production. One such improvement is to reduce the Main Injector cycle time, by performing slip stacking, previously done in the Main Injector, in the now repurposed Recycler Ring. Recycler slip stacking requires new tuneable RF cavities, discussed separately in these proceedings. These are quarter wave cavities resonant at 52.809 MHz with a 10 kHz tuning range. The 10 kHz range is achieved by use of a tuner which has an electrical length of approximately one half wavelength at 52.809 MHz. The tuner is constructed from 3 1/8 inch diameter rigid coaxial line, with 5 inches of its length containing perpendicularly biased, Al doped Yttrium Iron Garnet (YIG). The tuner design, measurements, and high power test results are presented.",1409.5762v1 2014-09-30,Spin Hall noise,"We measure the low-frequency thermal fluctuations of pure spin current in a Platinum film deposited on yttrium iron garnet via the inverse spin Hall effect (ISHE)-mediated voltage noise as a function of the angle $\alpha$ between the magnetization and the transport direction. The results are consistent with the fluctuation dissipation theorem in terms of the recently discovered spin Hall magnetoresistance (SMR). We present a microscopic description of the $\alpha$ dependence of the voltage noise in terms of spin current fluctuations and ISHE.",1409.8513v2 2014-10-22,Spin current generation from sputtered Y3Fe5O12 films,"Spin current injection from sputtered yttrium iron garnet (YIG) films into an adjacent platinum layer has been investigated by means of the spin pumping and the spin Seebeck effects. Films with a thickness of 83 and 96 nanometers were fabricated by on-axis magnetron rf sputtering at room temperature and subsequent post-annealing. From the frequency dependence of the ferromagnetic resonance linewidth, the damping constant has been estimated to be $(7.0\pm1.0)\times 10^{-4}$. Magnitudes of the spin current generated by the spin pumping and the spin Seebeck effect are of the same order as values for YIG films prepared by liquid phase epitaxy. The efficient spin current injection can be ascribed to a good YIG|Pt interface, which is confirmed by the large spin-mixing conductance $(2.0\pm0.2)\times 10^{18}$ m$^{-2}$.",1410.5987v1 2014-12-07,Magnonic band gaps in YIG based magnonic crystals: array of grooves versus array of metallic stripes,"The magnonic band gaps of the two types of planar one-dimensional magnonic crystals comprised of the periodic array of the metallic stripes on yttrium iron garnet (YIG) film and YIG film with an array of grooves was analyzed experimentally and theoretically. In such periodic magnetic structures the propagating magnetostatic surface spin waves were excited and detected by microstripe transducers with vector network analyzer and by Brillouin light scattering spectroscopy. Properties of the magnonic band gaps were explained with the help of the finite element calculations. The important influence of the nonreciprocal properties of the spin wave dispersion induced by metallic stripes on the magnonic band gap width and its dependence on the external magnetic field has been shown. The usefulness of both types of the magnonic crystals for potential applications and possibility for miniaturization are discussed.",1412.2367v2 2014-12-22,Surface sensitivity of the spin Seebeck effect,"We have investigated the influence of the interface quality on the spin Seebeck effect (SSE) of the bilayer system yttrium iron garnet (YIG) - platinum (Pt). The magnitude and shape of the SSE is strongly influenced by mechanical treatment of the YIG single crystal surface. We observe that the saturation magnetic field H_{sat} for the SSE signal increases from 55.3 mT to 72.8 mT with mechanical treatment. The change in the magnitude of H_{sat} can be attributed to the presence of a perpendicular magnetic anisotropy due to the treatment induced surface strain or shape anisotropy in the Pt/YIG system. Our results show that the SSE is a powerful tool to investigate magnetic anisotropy at the interface.",1412.7712v1 2015-01-12,Anomalous Hall effect in YIG$|$Pt bilayers,"We measure the ordinary and the anomalous Hall effect in a set of yttrium iron garnet$|$platinum (YIG$|$Pt) bilayers via magnetization orientation dependent magnetoresistance experiments. Our data show that the presence of the ferrimagnetic insulator YIG leads to an anomalous Hall like signature in Pt, sensitive to both Pt thickness and temperature. Interpretation of the experimental findings in terms of the spin Hall anomalous Hall effect indicates that the imaginary part of the spin mixing interface conductance $G_{\mathrm{i}}$ plays a crucial role in YIG$|$Pt bilayers. In particular, our data suggest a sign change in $G_{\mathrm{i}}$ between $10\,\mathrm{K}$ and $300\,\mathrm{K}$. Additionally, we report a higher order Hall effect, which appears in thin Pt films on YIG at low temperatures.",1501.02574v3 2015-01-14,A spin-wave logic gate based on a width-modulated dynamic magnonic crystal,"An electric current controlled spin-wave logic gate based on a width-modulated dynamic magnonic crystal is realized. The device utilizes a spin-wave waveguide fabricated from a single-crystal Yttrium Iron Garnet film and two conducting wires attached to the film surface. Application of electric currents to the wires provides a means for dynamic control of the effective geometry of the waveguide and results in a suppression of the magnonic band gap. The performance of the magnonic crystal as an AND logic gate is demonstrated.",1501.03486v2 2015-02-18,Spectral shape deformation in inverse spin Hall voltage in Y3Fe5O12|Pt bilayers at high microwave power levels,"We report on the deformation of microwave absorption spectra and of the inverse spin Hall voltage signals in thin film bilayers of yttrium iron garnet (YIG) and platinum at high microwave power levels in a 9.45-GHz TE011 cavity. As the microwave power increases from 0.15 to 200 mW, the resonance field shifts to higher values, and the initially Lorentzian spectra of the microwave absorption intensity as well as the inverse spin Hall voltage signals become asymmetric. The contributions from opening of the magnetization precession cone and heating of YIG cannot well reproduce the data. Control measurements of inverse spin Hall voltages on thin-film YIG|Pt systems with a range of line widths underscore the role of spin-wave excitations in spectral deformation.",1502.05198v1 2015-02-13,Spin-current injection and detection in strongly correlated organic conductor,"Spin-current injection into an organic semiconductor $\rm{\kappa\text{-}(BEDT\text{-}TTF)_2Cu[N(CN)_2]Br}$ film induced by the spin pumping from an yttrium iron garnet (YIG) film. When magnetization dynamics in the YIG film is excited by ferromagnetic or spin-wave resonance, a voltage signal was found to appear in the $\rm{\kappa\text{-}(BEDT\text{-}TTF)_2Cu[N(CN)_2]Br}$ film. Magnetic-field-angle dependence measurements indicate that the voltage signal is governed by the inverse spin Hall effect in $\rm{\kappa\text{-}(BEDT\text{-}TTF)_2Cu[N(CN)_2]Br}$. We found that the voltage signal in the $\rm{\kappa\text{-}(BEDT\text{-}TTF)_2Cu[N(CN)_2]Br}$/YIG system is critically suppressed around 80 K, around which magnetic and/or glass transitions occur, implying that the efficiency of the spin-current injection is suppressed by fluctuations which critically enhanced near the transitions.",1502.05244v1 2015-03-02,Supercurrent in a room temperature Bose-Einstein magnon condensate,"We report evidence for the existence of a supercurrent of magnons in a magnon Bose-Einstein condensate prepared in a room temperature yttrium-iron-garnet magnetic film and subject to a thermal gradient. The magnon condensate is formed in a parametrically populated magnon gas, and its temporal evolution is studied by time-, frequency- and wavector-resolved Brillouin light scattering spectroscopy. It has been found that local heating in the focal point of a probing laser beam enhances the temporal decrease in the density of the freely evolving magnon condensate after the termination of the pumping pulse, but it does not alter the relaxation dynamics of the gaseous magnon phase. This phenomenon is understood as the appearance of a magnon supercurrent within the condensate due to a temperature- and, consequently, magnetisation-gradient induced phase gradient in the condensate wave function.",1503.00482v2 2015-04-10,Influence of magnetic surface anisotropy on spin wave reflection from the edge of ferromagnetic film,"We study propagation of the Gaussian beam of spin waves and its reflection from the edge of thin yttrium-iron-garnet film with in-plane magnetization perpendicular to this edge. We have performed micromagnetic simulations supported by analytical calculations to investigate influence of the surface magnetic anisotropy present at the film edge on the reflection, especially in the context of the Goos-Hanchen effect. We have shown the appearance of a negative lateral shift between reflected and incident spin wave beams' spots. This shift is particularly sensitive to the surface magnetic anisotropy value and is a result of the Goos-Hanchen shift which is sensitive to the magnitude of the anisotropy and of the bending of spin wave beam. We have demonstrated that the demagnetizing field provide graded increase of the refractive index for spin waves, which is responsible for the bending.",1504.02668v2 2015-04-30,Magneto-optical imaging technique for hostile environment: the ghost imaging approach,"We develop a new approach in magneto-optical imaging (MOI), applying for the first time a ghost imaging (GI) protocol to perform Faraday microscopy. MOI is of the utmost importance for the investigation of magnetic properties of material samples, through Weiss domains shape, dimension and dynamics analysis. Nevertheless, in some extreme conditions such as e. g. cryogenic temperatures or high magnetic fields application, there exists a lack of domains images due to the difficulty in creating an efficient imaging system in such environments. Here we present an innovative MOI technique that separates the imaging optical path from the one illuminating the object. The technique is based on thermal light GI and exploits correlations between light beams to retrieve the image of magnetic domains. As a proof of principle, the proposed technique is applied to the Faraday magneto-optical observation of the remanence domain structure of an yttrium iron garnet sample.",1504.08239v2 2015-05-07,Formation of Bright Solitons from Wave Packets with Repulsive Nonlinearity,"Formation of bright envelope solitons from wave packets with a repulsive nonlinearity was observed for the first time. The experiments used surface spin-wave packets in magnetic yttrium iron garnet (YIG) thin film strips. When the wave packets are narrow and have low power, they undergo self-broadening during the propagation. When the wave packets are relatively wide or their power is relatively high, they can experience self-narrowing or even evolve into bright solitons. The experimental results were reproduced by numerical simulations based on a modified nonlinear Schr\""odinger equation model.",1505.01882v1 2015-05-23,Long distance transport of magnon spin information in a magnetic insulator at room temperature,"The transport of spin information has been studied in various materials, such as metals, semiconductors and graphene. In these materials, spin is transported by diffusion of conduction electrons. Here we study the diffusion and relaxation of spin in a magnetic insulator, where the large bandgap prohibits the motion of electrons. Spin can still be transported, however, through the diffusion of non-equilibrium magnons, the quanta of spin wave excitations in magnetically ordered materials. Here we show experimentally that these magnons can be excited and detected fully electrically in linear response, and can transport spin angular momentum through the magnetic insulator yttrium iron garnet (YIG) over distances as large as 40 micrometer. We identify two transport regimes: the diffusion limited regime for distances shorter than the magnon relaxation length, and the relaxation limited regime for larger distances. With a model similar to the diffusion-relaxation model for electron spin transport in (semi)conducting materials, we extract the magnon relaxation length lambda = 9.4 micrometer in a 200 nm thin YIG film at room temperature.",1505.06325v1 2015-05-26,Observation of pure inverse spin Hall effect in ferromagnetic metals by FM/AFM exchange bias structures,"We report that the spin current generated by spin Seebeck effect (SSE) in yttrium iron garnet (YIG) can be detected by a ferromagnetic metal (NiFe). By using the FM/AFM exchange bias structure (NiFe/IrMn), inverse spin Hall effect (ISHE) and planar Nernst effect (PNE) of NiFe can be unambiguously separated, allowing us to observe a pure ISHE signal. After eliminating the in plane temperature gradient in NiFe, we can even observe a pure ISHE signal without PNE from NiFe itself. It is worth noting that a large spin Hall angle (0.098) of NiFe is obtained, which is comparable with Pt. This work provides a kind of FM/AFM exchange bias structures to detect the spin current by charge signals, and highlights ISHE in ferromagnetic metals can be used in spintronic research and applications.",1505.06911v2 2015-06-19,Spin superfluidity and long-range transport in thin-film ferromagnets,"In ferromagnets, magnons may condense into a single quantum state. Analogous to superconductors, this quantum state may support transport without dissipation. Recent works suggest that longitudinal spin transport through a thin-film ferromagnet is an example of spin superfluidity. Although intriguing, this tantalizing picture ignores long-range dipole interactions; we demonstrate that such interactions dramatically affect spin transport. In single-film ferromagnets, ""spin superfluidity"" only exists at length scales (a few hundred nanometers in yttrium iron garnet) somewhat larger than the exchange length. Over longer distances, dipolar interactions destroy spin superfluidity. Nevertheless, we predict re-emergence of spin superfluidity in tri-layer ferromagnet--normal metal--ferromagnet films of $\sim 1\, \mu$m in size. Such systems also exhibit other types of long-range spin transport in samples several micrometers in size.",1506.06029v1 2015-06-19,Cavity mediated coherent coupling of magnetic moments,"We demonstrate the long range strong coupling of magnetostatic modes in spatially separated ferromagnets mediated by a microwave frequency cavity. Two spheres of yttrium iron garnet are embedded in the cavity and their magnetostatic modes probed using a dispersive measurement technique. We find they are strongly coupled to each other even when detuned from the cavity modes. We investigate the dependence of the magnet-magnet coupling on the cavity detuning $\Delta$, and find a $1/\Delta$ dependence also characteristic of cavity-coupled superconducting qubits. Dark states of the coupled magnetostatic modes of the system are observed, and ascribed to mismatches between the symmetries of the modes and the drive field.",1506.06049v2 2015-07-10,Magnon dark modes and gradient memory,"Extensive efforts have been expended in developing hybrid quantum systems to overcome the short coherence time of superconducting circuits by introducing the naturally long-lived spin degree of freedom. Among all the possible materials, single-crystal yttrium iron garnet has shown up very recently as a promising candidate for hybrid systems, and various highly coherent interactions, including strong and even ultra-strong coupling, have been demonstrated. One distinct advantage of these systems is that the spins are in the form of well-defined magnon modes, which allows flexible and precise tuning. Here we demonstrate that by dissipation engineering, a non-Markovian interaction dynamics between the magnon and the microwave cavity photon can be achieved. Such a process enables us to build a magnon gradient memory to store information in the magnon dark modes, which decouple from the microwave cavity and thus preserve a long life-time. Our findings provide a promising approach for developing long-lifetime, multimode quantum memories.",1507.02791v1 2015-08-20,Superstrong Coupling of a Microwave Cavity to YIG Magnons,"Multiple-post reentrant 3D lumped cavity modes have been realized to design the concept of discrete Whispering Gallery and Fabry-Perot-like Modes for multimode microwave Quantum Electrodynamics experiments. Using a magnon spin-wave resonance of a submillimeter-sized Yttrium-Iron-Garnet sphere at milliKelvin temperatures and a four-post cavity, we demonstrate the ultra-strong coupling regime between discrete Whispering Gallery Modes and a magnon resonance with strength of 1.84 GHz. By increasing the number of posts to eight and arranging them in a D$_4$ symmetry pattern, we expand the mode structure to that of a discrete Fabry-Perot cavity and modify the Free Spectral Range (FSR). We reach the superstrong coupling regime, where spin-photon coupling strength is larger than FSR, with coupling strength in the 1.1 to 1.5 GHz range.",1508.04967v3 2015-08-25,Non-local magnetoresistance in YIG/Pt nanostructures,"We study the local and non-local magnetoresistance of thin Pt strips deposited onto yttrium iron garnet. The local magnetoresistive response, inferred from the voltage drop measured along one given Pt strip upon current-biasing it, shows the characteristic magnetization orientation dependence of the spin Hall magnetoresistance. We simultaneously also record the non-local voltage appearing along a second, electrically isolated, Pt strip, separated from the current carrying one by a gap of a few 100 nm. The corresponding non-local magnetoresistance exhibits the symmetry expected for a magnon spin accumulation-driven process, confirming the results recently put forward by Cornelissen et al. [1]. Our magnetotransport data, taken at a series of different temperatures as a function of magnetic field orientation, rotating the externally applied field in three mutually orthogonal planes, show that the mechanisms behind the spin Hall and the non-local magnetoresistance are qualitatively different. In particular, the non-local magnetoresistance vanishes at liquid Helium temperatures, while the spin Hall magnetoresistance prevails.",1508.06130v1 2015-09-14,Spectral characteristics of time resolved magnonic spin Seebeck effect,"Spin Seebeck effect (SSE) holds promise for new spintronic devices with low-energy consumption. The underlying physics, essential for a further progress, is yet to be fully clarified. This study of the time resolved longitudinal SSE in the magnetic insulator yttrium iron garnet (YIG) concludes that a substantial contribution to the spin current stems from small wave-vector subthermal exchange magnons. Our finding is in line with the recent experiment by S. R. Boona and J. P. Heremans, Phys. Rev. B 90, 064421 (2014). Technically, the spin-current dynamics is treated based on the Landau-Lifshitz-Gilbert (LLG) equation also including magnons back-action on thermal bath, while the formation of the time dependent thermal gradient is described self-consistently via the heat equation coupled to the magnetization dynamics",1509.04018v1 2015-10-13,Optomagnonic whispering gallery microresonators,"Magnons in ferrimagnetic insulators such as yttrium iron garnet (YIG) have recently emerged as promising candidates for coherent information processing in microwave circuits. Here we demonstrate optical whispering gallery modes of a YIG sphere interrogated by a silicon nitride photonic waveguide, with quality factors approaching $10^6$ in the telecom c-band after surface treatments. Moreover, in contrast to conventional Faraday setup, this implementation allows input photon polarized colinearly to the magnetization to be scattered to a sideband mode of orthogonal polarization. This Brillouin scattering process is enhanced through triply resonant magnon, pump and signal photon modes - all of whispering gallery nature - within an ""optomagnonic cavity"". Our results show the potential use of magnons for mediating microwave-to-optical carrier conversion.",1510.03545v1 2015-11-24,Ferromagnetic Resonance of a YIG film in the Low Frequency Regime,"An improved method for characterizing the magnetic anisotropy of films with cubic symmetry is described and is applied to an yttrium iron garnet (111) film. Analysis of the FMR spectra performed both in-plane and out-of-plane from 0.7 to 8 GHz yielded the magnetic anisotropy constants as well as the saturation magnetization. The field at which FMR is observed turns out to be quite sensitive to anisotropy constants (by more than a factor ten) in the low frequency (< 2 GHz) regime and when the orientation of the magnetic field is nearly normal to the sample plane; the restoring force on the magnetization arising from the magnetocrystalline anisotropy fields is then comparable to that from the external field, thereby allowing the anisotropy constants to be determined with greater accuracy. In this region, unusual dynamical behaviors are observed such as multiple resonances and a switching of FMR resonance with only a 1 degree change in field orientation at 0.7 GHz.",1511.07892v1 2015-12-01,Epitaxial patterning of nanometer-thick Y3Fe5O12 films with low magnetic damping,"Magnetic insulators such as yttrium iron garnet, Y3Fe5O12, with extremely low magnetic damping have opened the door for low power spin-orbitronics due to their low energy dissipation and efficient spin current generation and transmission. We demonstrate reliable and efficient epitaxial growth and nanopatterning of Y3Fe5O12 thin-film based nanostructures on insulating Gd3Ga5O12 substrates. In particular, our fabrication process is compatible with conventional sputtering and liftoff, and does not require aggressive ion milling which may be detrimental to the oxide thin films. Structural and magnetic properties indicate good qualities, in particular low magnetic damping of both films and patterned structures. The dynamic magnetic properties of the nanostructures are systematically investigated as a function of the lateral dimension. By comparing to ferromagnetic nanowire structures, a distinct edge mode in addition to the main mode is identified by both experiments and simulations, which also exhbits cross-over with the main mode upon varying the width of the wires. The non-linear evolution of dynamic modes over nanostructural dimensions highlights the important role of size confinement to their material properties in magnetic devices where Y3Fe5O12 nanostructures serve as the key functional component.",1512.00286v1 2015-12-02,Bose-Einstein Condensation of Magnons Pumped by the Bulk Spin Seebeck Effect,"We propose inducing Bose-Einstein condensation of magnons in a magnetic insulator by a heat flow oriented toward its boundary. At a critical heat flux, the oversaturated thermal gas of magnons accumulated at the boundary precipitates the condensate, which then grows gradually as the thermal bias is dialed up further. The thermal magnons thus pumped by the magnonic bulk (spin) Seebeck effect must generally overcome both the local Gilbert damping associated with the coherent magnetic dynamics as well as the radiative spin-wave losses toward the magnetic bulk, in order to achieve the threshold of condensation. We quantitatively estimate the requisite bias in the case of the ferrimagnetic yttrium iron garnet, discuss different physical regimes of condensation, and contrast it with the competing (so-called Doppler-shift) bulk instability.",1512.00557v1 2015-12-02,Non-equilibrium thermodynamics of the longitudinal spin Seebeck effect,"In this paper we employ non equilibrium thermodynamics of fluxes and forces to describe magnetization and heat transport. By the theory we are able to identify the thermodynamic driving force of the magnetization current as the gradient of the effective field $\nabla H^*$. This definition permits to define the spin Seebeck coefficient $\epsilon_M$ which relates $\nabla H^*$ and the temperature gradient $\nabla T$. By applying the theory to the geometry of the longitudinal spin Seebeck effect we are able to obtain the optimal conditions for generating large magnetization currents. Furthermore, by using the results of recent experiments, we obtain an order of magnitude for the value of $\epsilon_{M} \sim 10^{-2}$ TK$^{-1}$ for yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$).",1512.00639v1 2015-12-14,Nonlocal Anomalous Hall Effect,"The anomalous Hall effect is deemed to be a unique transport property of ferromagnetic metals, caused by the concerted action of spin polarization and spin-orbit coupling. Nevertheless, recent experiments have shown that the effect also occurs in a nonmagnetic metal (Pt) in contact with a magnetic insulator (yttrium iron garnet (YIG)), even when precautions are taken to ensure there is no induced magnetization in the metal. We propose a theory of this effect based on the combined action of spin-dependent scattering from the magnetic interface and the spin Hall effect in the bulk of the metal. At variance with previous theories, we predict the effect to be of first order in the spin-orbit coupling, just as the conventional anomalous Hall effect -- the only difference being the spatial separation of the spin orbit interaction and the magnetization. For this reason we name this effect \textit{nonlocal anomalous Hall effect} and predict that its sign will be determined by the sign of the spin Hall angle in the metal. The AH conductivity that we calculate from our theory is in good agreement with the measured values in Pt/YIG structures.",1512.04146v1 2016-01-05,Proximity induced room-temperature ferromagnetism in graphene probed with spin currents,"The introduction and control of ferromagnetism in graphene opens up a range of new directions for fundamental and applied studies. Several approaches have been pursued so far, such as introduction of defects, functionalization with adatoms, and shaping of graphene into nanoribbons with well-defined zigzag edges. A more robust and less invasive method utilizes the introduction of an exchange interaction by a ferromagnetic insulator in proximity with graphene. Here we present a direct measurement of the exchange interaction in room temperature ferromagnetic graphene. We study the spin transport in exfoliated graphene on a yttrium-iron-garnet substrate where the observed spin precession clearly indicates the presence and strength of an exchange field that is an unambiguous evidence of induced ferromagnetism. We describe the results with a modified Bloch diffusion equation and extract an average exchange field of the order of 0.2 T. Further, we demonstrate that a proximity induced 2D ferromagnet can efficiently modulate a spin current by controlling the direction of the exchange field. These results can create a building block for magnetic-gate tuneable spin transport in one-atom-thick spintronic devices.",1601.00995v1 2016-01-21,Spin pumping in strongly coupled magnon-photon systems,"We experimentally investigate magnon-polaritons, arising in ferrimagnetic resonance experiments in a microwave cavity with a tuneable quality factor. To his end, we simultaneously measure the electrically detected spin pumping signal and microwave reflection (the ferrimagnetic resonance signal) of a yttrium iron garnet (YIG) / platinum (Pt) bilayer in the microwave cavity. The coupling strength of the fundamental magnetic resonance mode and the cavity is determined from the microwave reflection data. All features of the magnetic resonance spectra predicted by first principle calculations and an input-output formalism agree with our experimental observations. By changing the decay rate of the cavity at constant magnon-photon coupling rate, we experimentally tune in and out of the strong coupling regime and successfully model the corresponding change of the spin pumping signal. Furthermore, we observe the coupling and spin pumping of several spin wave modes and provide a quantitative analysis of their coupling rates to the cavity.",1601.05681v1 2016-02-12,Transport and spin conversion of multi-carriers in semimetal bismuth,"In this paper, we report on the investigation of (1) the transport properties of multi-carriers in semi-metal Bi and (2) the spin conversion physics in this semimetal system in a ferrimagnetic insulator, yttrium-iron-garnet. Hall measurements reveal that electrons and holes co-exist in the Bi, with electrons being the dominant carrier. The results of a spin conversion experiment corroborate the results of the Hall measurement; in addition, the inverse spin Hall effect governs the spin conversion in the semimetal/insulator system. This study provides further insights into spin conversion physics in semimetal systems.",1602.03953v1 2016-03-02,Enhancement of Thermally Injected Spin Current through an Antiferromagnetic Insulator,"We report large enhancement of thermally injected spin current in normal metal (NM)/antiferromagnet(AF)/yttrium iron garnet(YIG), where a thin AF insulating layer of NiO or CoO can enhance spin current from YIG to a NM by up to a factor of 10. The spin current enhancement in NM/AF/YIG, with a pronounced maximum near the N\'eel temperature of the thin AF layer, has been found to scale linearly with the spin-mixing conductance at the NM/YIG interface for NM = 3d, 4d, and 5d metals. Calculations of spin current enhancement and spin mixing conductance are qualitatively consistent with the experimental results.",1603.00931v2 2016-04-08,Gate-tunable spin-charge conversion and a role of spin-orbit interaction in graphene,"The small spin-orbit interaction of carbon atoms in graphene promises a long spin diffusion length and potential to create a spin field-effect transistor. However, for this reason, graphene was largely overlooked as a possible spin-charge conversion material. We report electric gate tuning of the spin-charge conversion voltage signal in a single-layer graphene. Using spin pumping from yttrium iron garnet ferrimagnetic insulator and ionic liquid top gate we determined that the inverse spin Hall effect is the dominant spin-charge conversion mechanism in a single-layer graphene. From the gate dependence of the electromotive force we showed dominance of the intrinsic over Rashba spin-orbit interaction: a long-standing question in graphene research.",1604.02222v1 2016-04-13,Magnon spin transport driven by the magnon chemical potential in a magnetic insulator,"We develop a linear-response transport theory of diffusive spin and heat transport by magnons in magnetic insulators with metallic contacts. The magnons are described by a position dependent temperature and chemical potential that are governed by diffusion equations with characteristic relaxation lengths. Proceeding from a linearized Boltzmann equation, we derive expressions for length scales and transport coefficients. For yttrium iron garnet (YIG) at room temperature we find that long-range transport is dominated by the magnon chemical potential. We compare the model's results with recent experiments on YIG with Pt contacts [L.J. Cornelissen, et al., Nat. Phys. 11, 1022 (2015)] and extract a magnon spin conductivity of $\sigma_{m}=5\times10^{5}$ S/m. Our results for the spin Seebeck coefficient in YIG agree with published experiments. We conclude that the magnon chemical potential is an essential ingredient for energy and spin transport in magnetic insulators.",1604.03706v1 2016-04-24,Who pumps spin current into nonmagnetic-metal (NM) layer in YIG/NM multilayers at ferromagnetic resonance?,"Spin pumping in Yttrium-iron-garnet (YIG)/nonmagnetic-metal (NM) layer systems under ferromagnetic resonance (FMR) conditions is a popular method of generating spin current in the NM layer. A good understanding of the spin current source is essential in extracting spin Hall angle of the NM and in potential spintronics applications. It is widely believed that spin current is pumped from precessing YIG magnetization into NM layer. Here, by combining microwave absorption and DC-voltage measurements on YIG/Pt and YIG/NM1/NM2 (NM1=Cu or Al, NM2=Pt or Ta), we unambiguously showed that spin current in NM came from the magnetized NM surface (in contact with YIG) due to the magnetic proximity effect (MPE), rather than the precessing YIG magnetization. This conclusion is reached through our unique detecting method where the FMR microwave absorption of the magnetized NM surface, hardly observed in the conventional FMR experiments, was greatly amplified when the electrical detection circuit was switched on.",1604.07025v1 2016-04-24,Optomagnonics in Magnetic Solids,"Coherent conversion of photons to magnons, and back, provides a natural mechanism for rapid control of interactions between stationary spins with long coherence times and high-speed photons. Despite the large frequency difference between optical photons and magnons, coherent conversion can be achieved through a three-particle interaction between one magnon and two photons whose frequency difference is resonant with the magnon frequency, as in optomechanics with two photons and a phonon. The large spin density of a transparent ferromagnetic insulator (such as the ferrite yttrium iron garnet) in an optical cavity provides an intrinsic photon-magnon coupling strength that we calculate to exceed reported optomechanical couplings. A large cavity photon number and properly selected cavity detuning produce a predicted effective coupling strength sufficient for observing electromagnetically induced transparency and the Purcell effect, and even to reach the ultra-strong coupling regime.",1604.07052v2 2016-04-25,Magnon based logic in a multi-terminal YIG/Pt nanostructure,"Boolean logic is the foundation of modern digital information processing. Recently, there has been a growing interest in phenomena based on pure spin currents, which allow to move from charge to spin based logic gates. We study a proof-of-principle logic device based on the ferrimagnetic insulator Yttrium Iron Garnet (YIG), with Pt strips acting as injectors and detectors for nonequilibrium magnons. We experimentally observe incoherent superposition of magnons generated by different injectors. This allows to implement a fully functional majority gate, enabling multiple logic operations (AND and OR) in one and the same device. Clocking frequencies of the order of several GHz and straightforward down-scaling make our device promising for applications.",1604.07262v1 2016-05-01,Magnetoelectric fields for microwave chirality discrimination in enantiomeric liquids,"Chirality discrimination is of a fundamental interest in biology, chemistry, and metamaterial studies. In optics, near-field plasmon-resonance spectroscopy with superchiral probing fields is effectively applicable for analyses of large biomolecules with chiral properties. We show possibility for microwave near-field chirality discrimination analysis based on magnon-resonance spectroscopy. Newly developed capabilities in microwave sensing using magnetoelectric (ME) probing fields originated from multiresonance magnetic-dipolar-mode (MDM) oscillations in quasi-2D yttrium-iron-garnet (YIG) disks, provide a potential for unprecedented measurements of chemical and biological objects. We report on microwave near-field chirality discrimination for aqueous D- and L-glucose solutions. The shown ME-field sensing is addressed to microwave biomedical diagnostics and pathogen detection and to deepening our understanding of microwave-biosystem interactions. It can be also important for an analysis and design of microwave chiral metamaterials.",1605.00212v1 2016-05-17,Direct observation of dynamic modes excited in a magnetic insulator by pure spin current,"Excitation of magnetization dynamics by pure spin currents has been recently recognized as an enabling mechanism for spintronics and magnonics, which allows implementation of spin-torque devices based on low-damping insulating magnetic materials. Here we report the first spatially-resolved study of the dynamic modes excited by pure spin current in nanometer-thick microscopic insulating Yttrium Iron Garnet disks. We show that these modes exhibit nonlinear self-broadening preventing the formation of the self-localized magnetic bullet, which plays a crucial role in the stabilization of the single-mode magnetization oscillations in all-metallic systems. This peculiarity associated with the efficient nonlinear mode coupling in low-damping materials can be among the main factors governing the interaction of pure spin currents with the dynamic magnetization in high-quality magnetic insulators.",1605.05211v1 2016-05-27,Combined Brillouin light scattering and microwave absorption study of magnon-photon coupling in a split-ring resonator/YIG film system,"Microfocused Brillouin light scattering (BLS) and microwave absorption (MA) are used to study magnon-photon coupling in a system consisting of a split-ring microwave resonator and a yttrium iron garnet (YIG) film. The split-ring resonantor is defined by optical lithography and loaded with a 1 $\mu$m-thick YIG film grown by liquid phase epitaxy. BLS and MA spectra of the hybrid system are simultaneously recorded as a function of the applied magnetic field magnitude and microwave excitation frequency. Strong coupling of the magnon and photon modes is found with a coupling strength of $g_\text{eff}/2 \pi = 63$ MHz. The combined BLS and MA data allows to study the continuous transition of the hybridized modes from a purely magnonic to a purely photonic mode by varying the applied magnetic field and microwave frequency. Furthermore, the BLS data represent an up-conversion of the microwave frequency coupling to optical frequencies.",1605.08531v1 2016-05-28,"Magnon Waves on Chains of YIG particles: Dispersion Relations, Faraday Rotation, and Power Transmission","We calculate the dispersion relations for magnon waves on a periodic chain of spherical or cylindrical Yttrium Iron Garnet (YIG) particles. We use the quasistatic approximation, appropriate when $kd \ll 1$, where $k$ is the wave number and $d$ the interparticle spacing. In this regime, because of the magnetic dipole-dipole interaction between the localized magnetic excitations on neighboring particles, dispersive magnon waves can propagate along the chain. The waves are analogous to plasmonic waves generated by electric dipole-dipole interactions between plasmons on neighboring metallic particles. The magnon waves can be longitudinal ($L$), transverse ($T$), or elliptically polarized. We find that a linearly polarized magnon wave undergoes a Faraday rotation as it propagates along the chain. The amount of Faraday rotation can be tuned by varying the off-diagonal component of the permeability tensor. We also discuss the possibility of wireless power transmission along the chain using these coupled magnon waves.",1605.08931v1 2016-06-10,Indirect Coupling between Two Cavity Photon Systems via Ferromagnetic Resonance,"We experimentally realize indirect coupling between two cavity modes via strong coupling with the ferromagnetic resonance in Yttrium Iron Garnet (YIG). We find that some indirectly coupled modes of our system can have a higher microwave transmission than the individual uncoupled modes. Using a coupled harmonic oscillator model, the influence of the oscillation phase difference between the two cavity modes on the nature of the indirect coupling is revealed. These indirectly coupled microwave modes can be controlled using an external magnetic field or by tuning the cavity height. This work has potential for use in controllable optical devices and information processing technologies.",1606.03469v1 2016-07-06,Temperature dependence of the magnon spin diffusion length and magnon spin conductivity in the magnetic insulator yttrium iron garnet,"We present a systematic study of the temperature dependence of diffusive magnon spin transport, using a non-local device geometry. In our measurements, we detect spin signals arising from electrical and thermal magnon generation, and we directly extract the magnon spin diffusion length $\lambda_m$ for temperatures from 2 to 293 K. Values of $\lambda_m$ obtained from electrical and thermal generation agree within the experimental error, with $\lambda_m=9.6\pm0.9$ $\mu$m at room temperature to a minimum of $\lambda_m=5.5\pm0.7$ $\mu$m at 30 K. Using a 2D finite element model to fit the data obtained for electrical magnon generation we extract the magnon spin conductivity $\sigma_m$ as a function of temperature, which is reduced from $\sigma_m=5.1\pm0.2\times10^5$ S/m at room temperature to $\sigma_m=0.7\pm0.4\times10^5$ S/m at 5 K. Finally, we observe an enhancement of the signal originating from thermally generated magnons for low temperatures, where a maximum is observed around $T=7$ K. An explanation for this low temperature enhancement is however still missing and requires additional investigations.",1607.01506v1 2016-07-08,Observation of the spin Nernst effect,"The observation of the spin Hall effect triggered intense research on pure spin current transport. With the spin Hall effect, the spin Seebeck effect, and the spin Peltier effect already observed, our picture of pure spin current transport is almost complete. The only missing piece is the spin Nernst (-Ettingshausen) effect, that so far has only been discussed on theoretical grounds. Here, we report the observation of the spin Nernst effect. By applying a longitudinal temperature gradient, we generate a pure transverse spin current in a Pt thin film. For readout, we exploit the magnetization-orientation-dependent spin transfer to an adjacent Yttrium Iron Garnet layer, converting the spin Nernst current in Pt into a controlled change of the longitudinal thermopower voltage. Our experiments show that the spin Nernst and the spin Hall effect in Pt are of comparable magnitude, but differ in sign, as corroborated by first-principles calculations.",1607.02277v2 2016-07-08,Control of magnon-photon coupling strength in a planar resonator/YIG thin film configuration,"A systematic study of the coupling at room temperature between ferromagnetic resonance (FMR) and a planar resonator is presented. The chosen magnetic material is a ferrimagnetic insulator (Yttrium Iron Garnet: YIG) which is positioned on top of a stop band (notch) filter based on a stub line capacitively coupled to a 50 $\Omega$ microstrip line resonating at 4.731 GHz. Control of the magnon-photon coupling strength is discussed in terms of the microwave excitation configuration and the YIG thickness from 0.2 to 41 $\mu$m. From the latter dependence, we extract a single spin-photon coupling of g$_{0}$/2$\pi$=162$\pm$6 mHz and a maximum of an effective coupling of 290 MHz.",1607.02358v3 2016-07-13,Surface state dominated spin-charge current conversion in topological insulator/ferromagnetic insulator heterostructures,"We report the observation of ferromagnetic resonance-driven spin pumping signals at room temperature in three-dimensional topological insulator thin films -- Bi2Se3 and (Bi,Sb)2Te3 -- deposited by molecular beam epitaxy on yttrium iron garnet thin films. By systematically varying the Bi2Se3 film thickness, we show that the spin-charge conversion efficiency, characterized by the inverse Rashba-Edelstein effect length (lambda_IREE), increases dramatically as the film thickness is increased from 2 quintuple layers, saturating above 6 quintuple layers. This suggests a dominant role of surface states in spin and charge interconversion in topological insulator/ferromagnet heterostructures. Our conclusion is further corroborated by studying a series of YIG/(BiSb)2Te3 heterostructures. Finally, we use the ferromagnetic resonance linewidth broadening and the inverse Rashba-Edelstein signals to determine the effective interfacial spin mixing conductance and lambda_IREE.",1607.03872v1 2016-07-25,Damping of parametrically excited magnons in the presence of the longitudinal spin Seebeck effect,"The impact of the longitudinal spin Seebeck effect (LSSE) on the magnon damping in magnetic-insulator/nonmagnetic-metal bilayers was recently discussed in several reports. However, results of those experiments can be blurred by multimode excitation within the measured linewidth. In order to avoid possible intermodal interference, we investigated the damping of a single magnon group in a platinum covered Yttrium Iron Garnet (YIG) film by measurement of the threshold of its parametric excitation. Both dipolar and exchange spin-wave branches were probed. It turned out that the LSSE-related modification of spin-wave damping in a micrometer-thick YIG film is too weak to be observed in the entire range of experimentally accessible wavevectors. At the same time, the change in the mean temperature of the YIG layer, which can appear by applying a temperature gradient, strongly modifies the damping value.",1607.07274v1 2016-08-08,Reconstruction of an effective magnon mean free path distribution from spin Seebeck measurements in thin films,"A thorough understanding of the mean-free-path (MFP) distribution of the energy carriers is crucial to engineer and tune the transport properties of materials. In this context, a significant body of work has investigated the phonon and electron MFP distribution, however, similar studies of the magnon MFP distribution have not been carried out so far. In this work, we used thickness-dependence measurements of the longitudinal spin Seebeck (LSSE) effect of yttrium iron garnet films to reconstruct the cumulative distribution of a SSE related effective magnon MFP. By using the experimental data reported by Guo et al. [Phys. Rev. X 6, 031012 (2016)], we adapted the phonon MFP reconstruction algorithm proposed by A.J. Minnich, [Phys. Rev. Lett. 109, 205901 (2012)] and apply it to magnons. The reconstruction showed that magnons with different MFP contribute in different manner to the total LSSE and the effective magnon MFP distribution spreads far beyond their typical averaged values.",1608.02474v3 2016-09-06,Chiral charge pumping in graphene deposited on a magnetic insulator,"We demonstrate that a sizable chiral charge pumping can be achieved at room temperature in graphene/Yttrium Iron Garnet (YIG) bilayer systems. The effect, which cannot be attributed to the ordinary spin pumping, reveals itself in the creation of a dc electric field/voltage in graphene as a response to the dynamic magnetic excitations (spin waves) in an adjacent out-of-plane magnetized YIG film. We show that the induced voltage changes its sign when the orientation of the static magnetization is reversed, clearly indicating the broken spatial inversion symmetry in the studied system. The strength of effect shows a non-monotonous dependence on the spin-wave frequency, in agreement with the proposed theoretical model.",1609.01613v2 2016-09-26,Magnon Kerr effect in a strongly coupled cavity-magnon system,"We experimentally demonstrate magnon Kerr effect in a cavity-magnon system, where magnons in a small yttrium iron garnet (YIG) sphere are strongly but dispersively coupled to the photons in a three-dimensional cavity. When the YIG sphere is pumped to generate considerable magnons, the Kerr effect yields a perceptible shift of the cavity's central frequency and more appreciable shifts of the magnon modes. We derive an analytical relation between the magnon frequency shift and the drive power for the uniformly magnetized YIG sphere and find that it agrees very well with the experimental results of the Kittel mode. Our study paves the way to explore nonlinear effects in the cavity-magnon system.",1609.07891v2 2016-09-24,Optical manipulation of a magnon-photon hybrid system,"We demonstrate an all-optical method for manipulating the magnetization in a 1-mm YIG (yttrium-iron-garnet) sphere placed in a $\sim0.17\,$T uniform magnetic field. An harmonic of the frequency comb delivered by a multi-GHz infrared laser source is tuned to the Larmor frequency of the YIG sphere to drive magnetization oscillations, which in turn give rise to a radiation field used to thoroughly investigate the phenomenon. The radiation damping issue that occurs at high frequency and in the presence of highly magnetizated materials, has been overcome by exploiting magnon-photon strong coupling regime in microwave cavities. Our findings demonstrate an effective technique for ultrafast control of the magnetization vector in optomagnetic materials via polarization rotation and intensity modulation of an incident laser beam. We eventually get a second-order susceptibility value of $\sim10^{-7}$ cm$^2$/MW for single crystal YIG.",1609.08147v1 2016-10-18,Spin transport in antiferromagnetic NiO and magnetoresistance in Y$_3$Fe$_5$O$_{12}$/NiO/Pt structures,"We have studied spin transport and magnetoresistance in yttrium iron garnet (YIG)/NiO/Pt trilayers with varied NiO thickness. To characterize the spin transport through NiO we excite ferromagnetic resonance in YIG with a microwave frequency magnetic field and detect the voltage associated with the inverse spin-Hall effect (ISHE) in the Pt layer. The ISHE signal is found to decay exponentially with the NiO thickness with a characteristic decay length of 3.9 nm. This is contrasted with the magnetoresistance in these same structures. The symmetry of the magnetoresistive response is consistent with spin-Hall magnetoresistance (SMR). However, in contrast to the ISHE response, as the NiO thickness increases the SMR signal goes towards zero abruptly at a NiO thickness of $\simeq$ 4 nm, highlighting the different length scales associated with the spin-transport in NiO and SMR in such trilayers.",1610.05760v1 2016-10-26,Time-resolved measurements of surface spin-wave pulses at millikelvin temperatures,"In this work, we experimentally investigate the propagation of pulsed magnetostatic surface spin-wave (magnon) signals in an yttrium iron garnet (YIG) waveguide at millikelvin temperatures. Our measurements are performed in a dilution refrigerator at microwave frequencies. The excellent signal-to-noise ratio afforded by the low-temperature environment allows the propagation of the pulses to be observed in detail. The work gives insight both into low-temperature magnon dynamics in YIG and the potential application of systems of propagating magnons to solid-state quantum information processing.",1610.08402v2 2016-10-27,Spin-wave propagation in ultra-thin YIG based waveguides,"Spin-wave propagation in an assembly of microfabricated 20 nm thick, 2.5 {\mu}m wide Yttrium Iron Garnet (YIG) waveguides is studied using propagating spin-wave spectroscopy (PSWS) and phase resolved micro-focused Brillouin Light Scattering ({\mu}-BLS) spectroscopy. We show that spin-wave propagation in 50 parallel waveguides is robust against microfabrication induced imperfections. Spin-wave propagation parameters are studied in a wide range of excitation frequencies for the Damon-Eshbach (DE) configuration. As expected from its low damping, YIG allows the propagation of spin waves over long distances (the attenuation lengths is 25 {\mu}m at \mu$_{0}$H = 45 mT). Direct mapping of spin waves by {\mu}-BLS allows us to reconstruct the spin-wave dispersion relation and to confirm the multi-mode propagation in the waveguides, glimpsed by propagating spin-wave spectroscopy.",1610.08756v1 2016-10-27,Observation of Self-Cavitating Envelope Dispersive Shock Waves in Yttrium Iron Garnet Thin Films,"The formation and properties of envelope dispersive shock wave (DSW) excitations from repulsive nonlinear waves in a magnetic film are studied. Experiments involve the excitation of a spin-wave step pulse in a low-loss magnetic Y$_3$Fe$_5$O$_{12}$ thin film strip, in which the spin-wave amplitude increases rapidly, realizing the canonical Riemann problem of shock theory. Under certain conditions, the envelope of the spin-wave pulse evolves into a DSW that consists of an expanding train of nonlinear oscillations with amplitudes increasing from front to back, terminated by a black soliton. The onset of DSW self-cavitation, indicated by a point of zero power and a concomitant 180 phase jump, is observed for sufficiently large steps, indicative of the bidirectional dispersive hydrodynamic nature of the DSW. The experimental observations are interpreted with theory and simulations of the nonlinear Schr\""odinger equation.",1610.08846v3 2016-10-29,Tailoring magnetic insulator proximity effects in graphene: First-principles calculations,"We report a systematic first-principles investigation of the influence of different magnetic insulators on the magnetic proximity effect induced in graphene. Four different magnetic insulators are considered: two ferromagnetic europium chalcogenides namely EuO and EuS and two ferrimagnetic insulators yttrium iron garnet (YIG) and cobalt ferrite (CFO). The obtained exchange-splitting varies from tens to hundreds of meV. We also find an electron doping induced by YIG and europium chalcogenides substrates, that shift the Fermi level up to 0.78 eV and 1.3 eV respectively, whereas hole doping up to 0.5 eV is generated by CFO. Furthermore, we study the variation of the extracted exchange and tight binding parameters as a function of the EuO and EuS thicknesses. We show that those parameters are robust to thickness variation such that a single monolayer of magnetic insulator can induce a large magnetic proximity effect on graphene. Those findings pave the way towards possible engineering of graphene spin-gating by proximity effect especially in view of recent experiments advancement.",1610.09554v1 2016-10-31,Strong coupling of magnons in a YIG sphere to photons in a planar superconducting resonator in the quantum limit,"We report measurements of a superconducting coplanar waveguide resonator (CPWR) coupled to a sphere of yttrium-iron garnet. The non-uniform CPWR field allows us to excite various magnon modes in the sphere. Mode frequencies and relative coupling strengths are consistent with theory. Strong coupling is observed to several modes even with, on average, less than one excitation present in the CPWR. The time response to square pulses shows oscillations at the mode splitting frequency. These results indicate the feasibility of combining magnonic and planar superconducting quantum devices.",1610.09963v2 2016-11-18,Temporal evolution of auto-oscillations in a YIG/Pt microdisc driven by pulsed spin Hall effect-induced spin-transfer torque,"The temporal evolution of pulsed Spin Hall Effect - Spin Transfer Torque (SHE-STT) driven auto-oscillations in a Yttrium Iron Garnet (YIG) / platinum (Pt) microdisc is studied experimentally using time-resolved Brillouin Light Scattering (BLS) spectroscopy. It is demonstrated that the frequency of the auto-oscillations is different in the center and at the edge of the investigated disc that is related to the simultaneous STT excitation of a bullet and a non-localized spin-wave mode. Furthermore, the magnetization precession intensity is found to saturate on a time scale of 20 ns or longer, depending on the current density. For this reason, our findings suggest that a proper ratio between the current and the pulse duration is of crucial importance for future STT-based devices.",1611.06054v1 2016-12-15,Theory of the Spin Seebeck Effect at a Topological-Insulator/Ferromagnetic-Insulator Interface,"The spin-Seebeck effect refers to voltage signals induced in metals by thermally driven spin currents in adjacent magnetic systems. We present a theory of the spin-Seebeck signal in the case where the conductor that supports the voltage signal is the topologically protected two-dimensional surface-state system at the interface between a ferromagnetic insulator (FI) and a topological insulator (TI). Our theory uses a Dirac model for the TI surface-states and assumes Heisenberg exchange coupling between the TI quasiparticles and the FI magnetization. The spin-Seebeck voltage is induced by the TI surface states scattering off the nonequilibrium magnon population at the surface of the semi-infinite thermally driven FI. Our theory is readily generalized to spin-Seebeck voltages in any two-dimensional conductor that is exchange-coupled to the surface of a FI. Surface-state carrier-density-dependent signal strengths calculated using Bi$_2$Te$_3$ and yttrium iron garnet material parameters are consistent with recent experiments.",1612.04916v3 2016-12-18,Bottleneck accumulation of hybrid magneto-elastic bosons,"It is known that an ensemble of magnons, quanta of spin waves, can be prepared as a Bose gas of weakly interacting quasiparticles with conservation of the particle number. Furthermore, the thermalization of the overpopulated magnon gas can lead to the formation of a Bose-Einstein condensate at the bottom of a spin-wave spectrum. However, magnon-phonon scattering processes can significantly modify this scenario and new quasiparticles are formed - magneto-elastic bosons. Our observations of a parametrically populated magnon gas in a single-crystal film of Yttrium Iron Garnet by means of wavevector-resolved Brillouin light scattering spectroscopy including magneto-elastic coupling resulted in the discovery of a novel condensation phenomenon: A spontaneous accumulation of hybrid magneto-elastic bosonic quasiparticles at the intersection of the lowest magnon mode and a transversal acoustic wave.",1612.05925v1 2016-12-21,Pure spin current transport in gallium doped zinc oxide,"We study the flow of a pure spin current through zinc oxide by measuring the spin Hall magnetoresistance (SMR) in thin film trilayer samples consisting of bismuth-substituted yttrium iron garnet (Bi:YIG), gallium-doped zinc oxide (Ga:ZnO), and platinum. We investigate the dependence of the SMR magnitude on the thickness of the Ga:ZnO interlayer and compare to a Bi:YIG/Pt bilayer. We find that the SMR magnitude is reduced by almost one order of magnitude upon inserting a Ga:ZnO interlayer, and continuously decreases with increasing interlayer thickness. Nevertheless, the SMR stays finite even for a $12\;\mathrm{nm}$ thick Ga:ZnO interlayer. These results show that a pure spin current indeed can propagate through a several nm-thick degenerately doped zinc oxide layer. We also observe differences in both the temperature and the field dependence of the SMR when comparing tri- and bilayers. Finally, we compare our data to predictions of a model based on spin diffusion. This shows that interface resistances play a crucial role for the SMR magnitude in these trilayer structures.",1612.07239v1 2016-12-15,Experimental prototype of a spin-wave majority gate,"Featuring low heat dissipation, devices based on spin-wave logic gates promise to comply with increasing future requirements in information processing. In this work, we present the experimental realization of a majority gate based on the interference of spin waves in an Yttrium-Iron-Garnet-based waveguiding structure. This logic device features a three-input combiner with the logic information encoded in the phase of the spin waves. We show that the phase of the output signal represents the majority of the phase of the input signals. A switching time of about 10 ns in the prototype device provides evidence for the ability of sub-nanosecond data processing in future down-scaled devices.",1612.07708v1 2017-02-03,Quantitative investigation of the inverse Rashba-Edelstein effect in Bi/Ag and Ag/Bi on YIG,"The inverse Rashba-Edelstein effect (IREE) is a spin conversion mechanism that recently attracts attention in spintronics and condensed matter physics. In this letter, we report an investigation of the IREE in Bi/Ag by using ferrimagnetic insulator yttrium iron garnet (YIG). We prepared two types of samples with opposite directions of the Rashba field by changing a stacking order of Bi and Ag. An electric current generated by the IREE was observed from both stacks, and an efficiency of spin conversion -characterized by the IREE length- was estimated by taking into account a number of contributions left out in previous studies. This study provides a further insight into the IREE spin conversion mechanism: important step towards achieving efficient spin-charge conversion devices.",1702.00890v1 2017-02-08,Magnon-polaron transport in magnetic insulators,"We theoretically study the effects of strong magnetoelastic coupling on the transport properties of magnetic insulators. We develop a Boltzmann transport theory for the mixed magnon-phonon modes (magnon polarons) and determine transport coefficients and spin diffusion length. Magnon-polaron formation causes anomalous features in the magnetic field and temperature dependence of the spin Seebeck effect when the disorder scattering in the magnetic and elastic subsystems is sufficiently different. Experimental data by Kikkawa et al. [PRL 117, 207203 (2016)] on yttrium iron garnet films can be explained by an acoustic quality that is much better than the magnetic quality of the material. We predict similar anomalous features in the spin and heat conductivity and non-local spin transport experiments.",1702.02270v1 2017-02-20,Parametric pumping of spin waves by acoustic waves,"The linear and nonlinear interactions between spin waves (magnons) and acoustic waves (phonons) in magnetostrictive materials provide an exciting opportunity for realizing novel microwave signal processing devices and spintronic circuits. Here we demonstrate the parametric pumping of spin waves by acoustic waves, the possibility of which has long been theoretically anticipated but never experimentally realized. Spin waves propagating in a thin film of yttrium iron garnet (YIG), a magnetostrictive ferrimagnet with low spin and acoustic wave damping, are pumped using an acoustic resonator driven at frequencies near twice the spin wave frequency. The observation of a counter-propagating idler wave and a distinct pump threshold that increases quadratically with frequency non-degeneracy are evidence of a nonlinear parametric pumping process consistent with classical theory. This demonstration of acoustic parametric pumping lays the groundwork for developing new spintronic and microwave signal processing devices based on amplification and manipulation of spin waves by efficient, spatially localized acoustic transducers.",1702.06038v1 2017-02-22,Is spin superfluidity possible in YIG films?,"Recently it was suggested that stationary spin supercurrents (spin superfluidity) are possible in the magnon condensate observed in yttrium-iron-garnet (YIG) magnetic films under strong external pumping. Here we analyze this suggestion. From topology of the equilibrium order parameter in YIG one must not expect energetic barriers making spin supercurrents metastable. However some small barriers of dynamical origin are possible nevertheless. The critical phase gradient (analog of the Landau critical velocity in superfluids) is proportional to intensity of the coherent spin wave (number of condensed magnons). The conclusion is that although spin superfluidity in YIG films is possible in principle, the published claim of its observation is not justified. The analysis revealed that the widely accepted spin-wave spectrum in YIG films with magnetostatic and exchange interaction required revision. This led to revision of non-linear corrections, which determine stability of the magnon condensate with and without spin supercurrents.",1702.06994v2 2017-05-05,Nano-patterned magnonic crystals based on ultrathin YIG films,"We demonstrate a microscopic magnonic-crystal waveguide produced by nano-patterning of a 20 nm thick film of Yttrium Iron Garnet. By using the phase-resolved micro-focus Brillouin light scattering spectroscopy, we map the intensity and the phase of spin waves propagating in such a periodic magnetic structure. Based on these maps, we obtain the dispersion and the attenuation characteristics of spin waves providing detailed information about the physics of spin-wave propagation in the magnonic crystal. We show that, in contrast to the simplified physical picture, the maximum attenuation of spin waves is achieved close to the edge of the magnonic band gap, which is associated with non-trivial reflection characteristics of spin waves in non-uniform field potentials.",1705.02267v1 2017-05-09,Low spin wave damping in the insulating chiral magnet Cu$_{2}$OSeO$_{3}$,"Chiral magnets with topologically nontrivial spin order such as Skyrmions have generated enormous interest in both fundamental and applied sciences. We report broadband microwave spectroscopy performed on the insulating chiral ferrimagnet Cu$_{2}$OSeO$_{3}$. For the damping of magnetization dynamics we find a remarkably small Gilbert damping parameter of about $1\times10^{-4}$ at 5 K. This value is only a factor of 4 larger than the one reported for the best insulating ferrimagnet yttrium iron garnet. We detect a series of sharp resonances and attribute them to confined spin waves in the mm-sized samples. Considering the small damping, insulating chiral magnets turn out to be promising candidates when exploring non-collinear spin structures for high frequency applications.",1705.03416v1 2017-06-06,Observation of spin superfluidity: YIG magnetic films and beyond,"From topology of the order parameter of the magnon condensate observed in yttrium-iron-garnet (YIG) magnetic films one must not expect energetic barriers making spin supercurrents metastable. But we show that some barriers of dynamical origin are possible nevertheless until the gradient of the phase (angle of spin precession) does not exceed the critical value (analog of the Landau critical velocity in superfluids). On the other hand, recently published claims of experimental detection of spin superfluidity in YIG films and antiferromagnets are not justified, and spin superfluidity in magnetically ordered solids has not yet been experimentally confirmed.",1706.01932v2 2017-06-11,Absorbing boundary layers for spin wave micromagnetics,"Micromagnetic simulations are used to investigate the effects of different absorbing boundary layers (ABLs) on spin waves (SWs) reflected from the edges of a magnetic nano-structure. We define the conditions that a suitable ABL must fulfill and compare the performance of abrupt, linear, polynomial and tan hyperbolic damping profiles in the ABL. We first consider normal incidence in a permalloy stripe and propose a transmission line model to quantify reflections and calculate the loss introduced into the stripe due to the ABL. We find that a parabolic damping profile absorbs the SW energy efficiently and has a low reflection coefficient, thus performing much better than the commonly used abrupt damping profile. We then investigated SWs that are obliquely incident at 26.6, 45 and 63.4 degrees on the edge of a yttrium-iron-garnet film. The parabolic damping profile again performs efficiently by showing a high SW energy transfer to the ABL and a low reflected SW amplitude.",1706.03325v1 2017-07-20,Bistability of Cavity Magnon Polaritons,"We report the first observation of the magnon-polariton bistability in a cavity magnonics system consisting of cavity photons strongly interacting with the magnons in a small yttrium iron garnet (YIG) sphere. The bistable behaviors are emerged as sharp frequency switchings of the cavity magnon-polaritons (CMPs) and related to the transition between states with large and small number of polaritons. In our experiment, we align, respectively, the [100] and [110] crystallographic axes of the YIG sphere parallel to the static magnetic field and find very different bistable behaviors (e.g., clockwise and counter-clockwise hysteresis loops) in these two cases. The experimental results are well fitted and explained as being due to the Kerr nonlinearity with either positive or negative coefficient. Moreover, when the magnetic field is tuned away from the anticrossing point of CMPs, we observe simultaneous bistability of both magnons and cavity photons by applying a drive field on the lower branch.",1707.06509v2 2017-09-16,Visualization of Anomalous Ettingshausen Effect in a Ferromagnetic Film: Direct Evidence of Different Symmetry from Spin Peltier Effect,"Spatial distribution of temperature modulation due to anomalous Ettingshausen effect (AEE) is visualized in a ferromagnetic FePt thin film with in-plane and out-of-plane magnetizations using the lock-in thermography technique. Comparing the AEE of FePt with the spin Peltier effect (SPE) of a Pt / yttrium iron garnet junction provides direct evidence of different symmetries of AEE and SPE. Our experiments and numerical calculations reveal that the distribution of heat sources induced by AEE strongly depends on the direction of magnetization, leading to the remarkable different temperature profiles in the FePt thin film between the in-plane and perpendicularly magnetized configurations.",1709.05449v1 2017-10-11,Approaching quantum anomalous Hall effect in proximity-coupled YIG/graphene/h-BN sandwich structure,"Quantum anomalous Hall state is expected to emerge in Dirac electron systems such as graphene under both sufficiently strong exchange and spin-orbit interactions. In pristine graphene, neither interaction exists; however, both interactions can be acquired by coupling graphene to a magnetic insulator (MI) as revealed by the anomalous Hall effect. Here, we show enhanced magnetic proximity coupling by sandwiching graphene between a ferrimagnetic insulator yttrium iron garnet (YIG) and hexagonal-boron nitride (h-BN) which also serves as a top gate dielectric. By sweeping the top-gate voltage, we observe Fermi level-dependent anomalous Hall conductance. As the Dirac point is approached from both electron and hole sides, the anomalous Hall conductance reaches 1/4 of the quantum anomalous Hall conductance 2e2/h. The exchange coupling strength is determined to be as high as 27 meV from the transition temperature of the induced magnetic phase. YIG/graphene/h-BN is an excellent heterostructure for demonstrating proximity-induced interactions in two-dimensional electron systems.",1710.04179v1 2017-10-18,Strong Coupling of 3D Cavity Photons to Travelling Magnons At Low Temperatures,"We demonstrate strong coupling between travelling magnons in an Yttrium Iron Garnet film and 3D microwave cavity photons at milli-Kelvin temperatures. The coupling strength of $350$MHz or $7.3$\% of resonance frequency is observed. The magnonic subsystem is represented by the Damon-Eshbach magnetostatic surface wave with a distribution of wave numbers giving the linewidth of 15MHz. The ways to improve this parameter are discussed. The energy gap in the spectrum given by the Zeeman energy and the shape-anisotropy energy in the film geometry give rise to a significant asymmetry of the double peak structure of the photon-magnon avoided level crossing. A structure of two parallel YIG films is investigated using the same re-entrant magnetostatic surface wave transducer revealing a higher order magnon modes existing in both films. Combination of a multi-post re-entrant cavity and multiple films is a potential base for engineering both magnon and photon spectra.",1710.06601v1 2017-11-01,Spin current noise of the spin Seebeck effect and spin pumping,"We theoretically investigate the fluctuation of a pure spin current induced by the spin Seebeck effect and spin pumping in a normal metal (NM)/ferromagnet (FM) bilayer system. Starting with a simple FI--NM interface model with both spin-conserving and spin-non-conserving processes, we derive general expressions of the spin current and the spin-current noise at the interface within second-order perturbation of the FI--NM coupling strength, and estimate them for an yttrium iron garnet (YIG) --platinum interface. We show that the spin-current noise can be used to determine the effective spin carried by a magnon, modified by the spin-non-conserving process at the interface. In addition, we show that it provides information on the effective spin of a magnon, heating at the interface under spin pumping, and spin Hall angle of the NM.",1711.00237v2 2017-11-02,Measurement of a Magnonic Crystal at Millikelvin Temperatures,"Hybrid systems combining magnons and superconducting quantum circuits have attracted increasing interest in recent years. Magnonic crystals (MCs) are one of the building blocks of room-temperature magnonics and can be used to create devices with an engineered band structure. These devices, exhibiting tunable frequency selectivity and the ability to store travelling excitations in the microwave regime, may form the basis of a set of new tools to be used in the context of quantum information processing. In order to ascertain the feasibility of such plans, MCs must be demonstrated to work at the low temperatures required for microwave-frequency quantum experiments. We report the first measurements of the transmission of microwave signals through an MC at 20 mK and observe a magnonic bandgap in both continuous-wave and pulsed excitation experiments. The spin-wave damping at low temperatures in our yttrium iron garnet MC is higher than expected, indicating that further work is necessary before the full potential of quantum experiments using magnonic crystals can be realised.",1711.00958v2 2017-12-07,Spin waves in coupled YIG/Co heterostructures,"We investigate yttrium iron garnet (YIG)/cobalt (Co) heterostructures using broadband ferromagnetic resonance (FMR). We observe an efficient excitation of perpendicular standing spin waves (PSSWs) in the YIG layer when the resonance frequencies of the YIG PSSWs and the Co FMR line coincide. Avoided crossings of YIG PSSWs and the Co FMR line are found and modeled using mutual spin pumping and exchange torques. The excitation of PSSWs is suppressed by a thin aluminum oxide (AlOx) interlayer but persists with a copper (Cu) interlayer, in agreement with the proposed model.",1712.02561v1 2018-03-30,From Kinetic Instability to Bose-Einstein Condensation and Magnon Supercurrents,"Evolution of an overpopulated gas of magnons to a Bose-Einstein condensate and excitation of a magnon supercurrent, propelled by a phase gradient in the condensate wave function, can be observed at room-temperature by means of the Brillouin light scattering spectroscopy in an yttrium iron garnet material. We study these phenomena in a wide range of external magnetic fields in order to understand their properties when externally pumped magnons are transferred towards the condensed state via two distinct channels: A multistage Kolmogorov-Zakharov cascade of the weak-wave turbulence or a one-step kinetic-instability process. Our main result is that opening the kinetic instability channel leads to the formation of a much denser magnon condensate and to a stronger magnon supercurrent compared to the cascade mechanism alone.",1803.11548v1 2018-04-03,Selection rules for cavity-enhanced Brillouin light scattering from magnetostatic modes,"We experimentally identify the magnetostatic modes active for Brillouin light scattering in the optical whispering gallery modes of a yttrium iron garnet sphere. Each mode is identified by magnetic field dispersion of ferromagnetic-resonance spectroscopy and coupling strength to the known field distribution of the microwave drive antenna. Our optical measurements confirm recent predictions that higher-order magnetostatic modes can also generate optical scattering, according to the selection rules derived from the axial symmetry. From this we summarize the selection rules for Brillouin light scattering. We give experimental evidence that the optomagnonic coupling to non-uniform magnons can be higher than that of the uniform Kittel mode.",1804.00965v2 2018-04-08,Optical cooling of magnons,"Inelastic scattering of light by spin waves generates an energy flow between the light and magnetization fields, a process that can be enhanced and controlled by concentrating the light in magneto-optical resonators. Here, we model the cooling of a sphere made of a magnetic insulator, such as yttrium iron garnet (YIG), using a monochromatic laser source. When the magnon lifetimes are much larger than the optical ones, we can treat the latter as a Markovian bath for magnons. The steady-state magnons are canonically distributed with a temperature that is controlled by the light intensity. We predict that such a cooling process can significantly reduce the temperature of the magnetic order within current technology.",1804.02683v1 2018-04-10,Microwave cavity tuned with liquid metal and its application to Electron Paramagnetic Resonance,"This note presents a method to tune the resonant frequency $f_{0}$ of a rectangular microwave cavity. This is achieved using a liquid metal, GaInSn, to decrease the volume of the cavity. It is possible to shift $f_{0}$ by filling the cavity with this alloy, in order to reduce the relative distance between the internal walls. The resulting modes have resonant frequencies in the range $7\div8\,$GHz. The capability of the system of producing an Electron Paramagnetic Resonance (EPR) measurement has been tested by placing a 1 mm diameter Yttrium Iron Garnet (YIG) sphere inside the cavity, and producing a strong coupling between the cavity resonance and Kittel mode. This work shows the possibility to tune a resonant system in the GHz range, which can be useful for several applications.",1804.03443v1 2018-04-12,Spin colossal magnetoresistance in an antiferromagnetic insulator,"Colossal magnetoresistance (CMR) refers to a large change in electrical conductivity induced by a magnetic field in the vicinity of a metal-insulator transition and has inspired extensive studies for decades\cite{Ramirez1997, Tokura2006}. Here we demonstrate an analogous spin effect near the N\'eel temperature $T_{\rm{N}}$=296 K of the antiferromagnetic insulator \CrO. Using a yttrium iron garnet \YIG/\CrO/Pt trilayer, we injected a spin current from the YIG into the \CrO layer, and collected via the inverse spin Hall effect the signal transmitted in the heavy metal Pt. We observed a change by two orders of magnitude in the transmitted spin current within 14 K of the N\'eel temperature. This transition between spin conducting and nonconducting states could be also modulated by a magnetic field in isothermal conditions. This effect, that we term spin colossal magnetoresistance (SCMR), has the potential to simplify the design of fundamental spintronics components, for instance enabling the realization of spin current switches or spin-current based memories.",1804.04516v1 2018-04-30,Single-Nitrogen-vacancy-center quantum memory for a superconducting flux qubit mediated by a ferromagnet,"We propose a quantum memory scheme to transfer and store the quantum state of a superconducting flux qubit (FQ) into the electron spin of a single nitrogen-vacancy (NV) center in diamond via yttrium iron garnet (YIG), a ferromagnet. Unlike an ensemble of NV centers, the YIG moderator can enhance the effective FQ-NV-center coupling strength without introducing additional appreciable decoherence. We derive the effective interaction between the FQ and the NV center by tracing out the degrees of freedom of the collective mode of the YIG spins. We demonstrate the transfer, storage, and retrieval procedures, taking into account the effects of spontaneous decay and pure dephasing. Using realistic experimental parameters for the FQ, NV center and YIG, we find that a combined transfer, storage, and retrieval fidelity higher than 0.9, with a long storage time of 10 ms, can be achieved. This hybrid system not only acts as a promising quantum memory, but also provides an example of enhanced coupling between various systems through collective degrees of freedom.",1804.11231v1 2018-05-29,Efficient injection and detection of out-of-plane spins via the anomalous spin Hall effect in permalloy nanowires,"We report a novel mechanism for the electrical injection and detection of out-of-plane spin accumulation via the anomalous spin Hall effect (ASHE), where the direction of the spin accumulation can be controlled by manipulating the magnetization of the ferromagnet. This mechanism is distinct from the spin Hall effect (SHE), where the spin accumulation is created along a fixed direction parallel to an interface. We demonstrate this unique property of the ASHE in nanowires made of permalloy (Py), to inject and detect out-of-plane spin accumulation in a magnetic insulator, yttrium iron garnet (YIG). We show that the efficiency for the injection/detection of out-of-plane spins can be up to 50% of that of in-plane spins. We further report the possibility to detect spin currents parallel to the Py/YIG interface for spins fully oriented in the out-of-plane direction, resulting in a sign reversal of the non-local magnon spin signal. The new mechanisms that we have demonstrated are highly relevant for spin torque devices and applications.",1805.11575v1 2018-06-12,Resonant spin wave excitation in magnetoplasmonic bilayers by short laser pulses,"In magnetically ordered solids a static magnetic field can be generated by virtue of the transverse magneto-optical Kerr effect (TMOKE). Moreover, the latter was shown to be dramatically enhanced due to the optical excitation of surface plasmons in nanostructures with relatively small optical losses. In this paper we suggest a new method of resonant optical excitations in a prototypical bilayer composed of noble metal (Au) with grating and a ferromagnet thin film of yttrium iron garnet (YIG) via frequency comb. Based on magnetization dynamics simulations we show that for the frequency comb with the parameters, chosen in resonant with spin-wave excitations of YIG, TMOKE is drastically enhanced, hinting towards possible technological applications in the optical control of spintronics systems.",1806.04764v1 2018-06-27,Boltzmann approach to the longitudinal spin Seebeck effect,"We develop a Boltzmann transport theory of coupled magnon-phonon transport in ferromagnetic insulators. The explicit treatment of the magnon-phonon coupling within the Boltzmann approach allows us to calculate the low-temperature magnetic-field dependence of the spin-Seebeck voltage. Within the Boltzmann theory we find that this magnetic field dependence shows similar features as found by Flebus et al. [Phys. Rev. B 95, 144420 (2017)] for a strongly coupled magnon phonon system that forms magnon-polarons, and consistent with experimental findings in yttrium iron garnet by Kikkawa et al. [Phys. Rev. Lett. 117, 207203 (2016)]. In addition to the anomalous magnetic-field dependence of the spin Seebeck effect, we also predict a dependence on the system size.",1806.10445v1 2018-07-03,Spin pinning and spin-wave dispersion in nanoscopic ferromagnetic waveguides,"Spin waves are investigated in Yttrium Iron Garnet (YIG) waveguides with a thickness of 39 nm and widths ranging down to 50 nm, i.e., with aspect ratios thickness over width approaching unity, using Brillouin Light Scattering spectroscopy. The experimental results are verified by a semi-analytical theory and micromagnetic simulations. A critical width is found, below which the exchange interaction suppresses the dipolar pinning phenomenon. This changes the quantization criterion for the spin-wave eigenmodes and results in a pronounced modification of the spin-wave characteristics. The presented semi-analytical theory allows for the calculation of spin-wave mode profiles and dispersion relations in nano-structures.",1807.01358v3 2018-07-23,Bias dependent spin injection into graphene on YIG through bilayer hBN tunnel barriers,"We study the spin injection efficiency into single and bilayer graphene on the ferrimagnetic insulator Yttrium-Iron-Garnet (YIG) through an exfoliated tunnel barrier of bilayer hexagonal boron nitride (hBN). The contacts of two samples yield a resistance-area product between 5 and 30 k$\Omega\mu$m$^2$. Depending on an applied DC bias current, the magnitude of the non-local spin signal can be increased or suppressed below the noise level. The spin injection efficiency reaches values from -60% to +25%. The results are confirmed with both spin valve and spin precession measurements. The proximity induced exchange field is found in sample A to be (85 $\pm$ 30) mT and in sample B close to the detection limit. Our results show that the exceptional spin injection properties of bilayer hBN tunnel barriers reported by Gurram et al. are not limited to fully encapsulated graphene systems but are also valid in graphene/YIG devices. This further emphasizes the versatility of bilayer hBN as an efficient and reliable tunnel barrier for graphene spintronics.",1807.08481v1 2018-07-24,Enhanced magnon spin transport in NiFe$_2$O$_4$ thin films on a lattice-matched substrate,"We investigate magnon spin transport in epitaxial nickel ferrite (NiFe$_2$O$_4$, NFO) films grown on magnesium gallate spinel (MgGa$_2$O$_4$, MGO) substrates, which have a lattice mismatch with NFO as small as 0.78%, resulting in the reduction of antiphase boundary defects and thus in improved magnetic properties in the NFO films. In the nonlocal transport experiments, enhanced signals are observed for both electrically and thermally excited magnons, and the magnon relaxation length ($\lambda_m$) of NFO is found to be around 2.5 $\mu$m at room temperature. Moreover, at both room and low temperatures, we present distinct features from the nonlocal spin Seebeck signals which arise from magnon polaron formation. Our results demonstrate excellent magnon transport properties (magnon spin conductivity, $\lambda_m$ and spin mixing conductance at the interface between Pt) of NFO films grown on a lattice-matched substrate that are comparable with those of yttrium iron garnet.",1807.09013v1 2018-10-01,Stabilizing Mechanism for Bose-Einstein Condensation of Interacting Magnons in Ferrimagnets and Ferromagnets,"We propose a stabilizing mechanism for the Bose-Einstein condensation (BEC) of interacting magnons in ferrimagnets and ferromagnets. By studying the effects of the magnon-magnon interaction on the stability of the magnon BEC in a ferrimagnet and two ferromagnets, we show that the magnon BEC remains stable even in the presence of the magnon-magnon interaction in the ferrimagnet and ferromagnet with a sublattice structure, whereas it becomes unstable in the ferromagnet without a sublattice structure. This indicates that the existence of a sublattice structure is the key to stabilizing the BEC of interacting magnons, and the difference between the spin alignments of a ferrimagnet and a ferromagnet is irrelevant. Our result can resolve a contradiction between experiment and theory in the magnon BEC of yttrium iron garnet. Our theoretical framework may provide a starting point for understanding the physics of the magnon BEC including the interaction effects.",1810.00584v2 2018-10-17,Conventional magnon BEC in YIG film,"The conventional magnon Bose-Einstein condensation (BEC of magnons with k = 0) is a coherent state of excited magnons described by a common wave function. It was observed first in antiferromagnetic superfluid states of 3He. Here we report on the discovery of a very similar magnon BEC in ferrimagnetic film at room temperature. The experiments were performed in Yttrium Iron Garnet (YIG) films at a magnetic field oriented perpendicular to the film. The high-density quasiequilibrium state of excited magnon was formed by methods of pulse and/or Continuous Waves (CW) magnetic resonance. We have observed a Long Lived Induction Decay Signals (LLIDS), well known as a signature of spin superfluidity. We demonstrate that the BEC state may maintain permanently by continuous replenishment of magnons with a small radiofrequency (RF) field. Our finding opens the way for development of potential supermagnonic applications at an ambient conditions.",1810.08051v2 2018-10-23,Higher-order exceptional point in a cavity magnonics system,"We propose to realize the pseudo-Hermiticity in a cavity magnonics system consisting of the Kittel modes in two small yttrium-iron-garnet spheres coupled to a microwave cavity mode. The effective gain of the cavity can be achieved using the coherent perfect absorption of the two input fields fed into the cavity. With certain constraints of the parameters, the Hamiltonian of the system has the pseudo-Hermiticity and its eigenvalues can be either all real or one real and other two constituting a complex-conjugate pair. By varying the coupling strengths between the two Kittel modes and the cavity mode, we find the existence of the third-order exceptional point in the parameter space, in addition to the usual second-order exceptional point existing in the system with parity-time symmetry. Also, we show that these exceptional points can be demonstrated by measuring the output spectrum of the cavity.",1810.09689v3 2018-10-27,Microwave control of thermal magnon spin transport,"We observe that an rf microwave field strongly influences the transport of incoherent thermal magnons in yttrium iron garnet. Ferromagnetic resonance in the nonlinear regime suppresses thermal magnon transport by 95%. The transport is also modulated at non-resonant conditions in two cases, both related to the magnon band minimum. Firstly, a strong enhancement of the nonlocal signal appears at a static magnetic field below the resonance condition. This increase only occurs at one field polarity and can be as large as 800%. We attribute this effect to magnon kinetic processes, which give rise to band-minimum magnons and high-energy chiral surface modes. Secondly, the signal increases at a static field above the resonance condition, where the rf frequency coincides with the magnon band minimum. Our study gives insight into the interplay between coherent and incoherent spin dynamics: The rf field modifies the occupation of relevant magnon states and, via kinetic processes, the magnon spin transport.",1810.11667v1 2018-11-14,Tunable space-time crystal in room-temperature magnetodielectrics,"We report the experimental realization of a space-time crystal with tunable periodicity in time and space in the magnon Bose-Einstein Condensate (BEC), formed in a room-temperature Yttrium Iron Garnet (YIG) film by radio-frequency space-homogeneous magnetic field. The magnon BEC is prepared to have a well defined frequency and non-zero wavevector. We demonstrate how the crystalline ""density"" as well as the time and space textures of the resulting crystal may be tuned by varying the experimental parameters: external static magnetic field, temperature, thickness of the YIG film and power of the radio-frequency field. The proposed space-time crystals provide a new dimension for exploring dynamical phases of matter and can serve as a model nonlinear Floquet system, that brings in touch the rich fields of classical nonlinear waves, magnonics and periodically driven systems.",1811.05801v1 2018-11-14,Anomalous Hall-like transverse magnetoresistance in Au thin films on Y$_3$Fe$_5$O$_{12}$,"Anomalous Hall-like signals in platinum in contact with magnetic insulators are common observations that could be explained by either proximity magnetization or spin Hall magnetoresistance. In this work, longitudinal and transverse magnetoresistances are measured in a pure gold thin film on the ferrimagnetic insulator Y$_3$Fe$_5$O$_{12}$ (Yttrium Iron Garnet, YIG). We show that both the longitudinal and transverse magnetoresistances have quantitatively consistent scaling in YIG/Au and in a YIG/Pt reference system when applying the Spin Hall magnetoresistance framework. No contribution of an anomalous Hall effect due to the magnetic proximity effect is evident.",1811.05848v1 2018-12-04,Spin transport in a magnetic insulator with zero effective damping,"Applications based on spin currents strongly profit from the control and reduction of their effective damping and their transport properties. We here experimentally observe magnon mediated transport of spin (angular) momentum through a 13.4 nm thin yttrium iron garnet film with full control of the magnetic damping via spin-orbit torque. Above a critical spin-orbit torque, the fully compensated damping manifests itself as an increase of magnon conductivity by almost two orders of magnitude. We compare our results to theoretical expectations based on recently predicted current induced magnon condensates and discuss other possible origins of the observed critical behaviour.",1812.01334v3 2019-01-08,Microscopic theory of spin transport at the interface between the superconductor and a ferromagnetic insulator,"We theoretically investigate spin transport at the interface between the ferromagnetic insulator(FI) and a superconductor(SC). Considering a simple FI-SC interface model, we derive formulas for the spin current and spin-current noise induced by microwave irradiation (spin pumping) or the temperature gradient (the spin Seebeck effect). We show how the superconducting coherence factor affects the temperature dependence of the spin current. We also calculate the spin-current noise in thermal equilibrium and in non-equilibrium states induced by the spin pumping, and compare them quantitatively for an yttrium-iron-garnet-NbN interface.",1901.02440v2 2019-01-26,Chiral excitation of spin waves in ferromagnetic films,"We theoretically investigate the interlayer dipolar and exchange couplings for an array of metallic magnetic nanowires grown on top of an extended ultrathin yttrium iron garnet film. The calculated interlayer dipolar coupling agrees with observed anticrossings [Chen \emph{et al.}, Phys. Rev. Lett. \textbf{120}, 217202 (2018)], concluding that the interlayer exchange coupling is suppressed by a spacer layer between the nanowires and film. The Kittel mode in the nanowire array couples chirally to spin waves in the film, even though Damon-Eshbach surface modes do not exist. The chirality is suppressed when the interlayer exchange coupling becomes strong.",1901.09182v1 2019-01-29,Low-impedance superconducting microwave resonators for strong coupling to small magnetic mode volumes,"Recent experiments on strongly coupled microwave and ferromagnetic resonance modes have focused on large volume bulk crystals such as yttrium iron garnet, typically of millimeter-scale dimensions. We extend these experiments to lower volumes of magnetic material by exploiting low-impedance lumped-element microwave resonators. The low impedance equates to a smaller magnetic mode volume, which allows us to couple to a smaller number of spins in the ferromagnet. Compared to previous experiments, we reduce the number of participating spins by two orders of magnitude, while maintaining the strength of the coupling rate. Strongly coupled devices with small volumes of magnetic material may allow the use of spin orbit torques, which require high current densities incompatible with existing structures.",1901.10395v1 2019-01-30,Surface dynamics of rough magnetic films,"The chirality of Damon-Eshbach (DE) magnons affects the transport of energy and angular momentum at the surface of magnetic films and spheres. We calculate the surface-disorder-limited dephasing and transport lifetimes of surface modes of sufficiently thick high-quality magnetic films such as yttrium iron garnet. In spite of their chirality surface magnons are not protected, but interact strongly with smooth surface roughness. Nevertheless, for long-range disorder the transport is much less affected by the suppressed back scattering (vertex correction). Moreover, in the presence of roughness ferromagnetic resonance under a \textit{uniform} microwave field can gennerate a considerable amount of surface magnons.",1901.11046v2 2019-02-12,Characterization of spin wave propagation in (111) YIG thin films with large anisotropy,"We report on long-range spin wave (SW) propagation in nanometer-thick yttrium iron garnet (YIG) film with an ultralow Gilbert damping. The knowledge of a wavenumber value $|\vec{k}|$ is essential for designing SW devices. Although determining the wavenumber $|\vec{k}|$ in experiments like Brillouin light scattering spectroscopy is straightforward, quantifying the wavenumber in all-electrical experiments has not been widely commented upon so far. We analyze magnetostatic spin wave (SW) propagation in YIG films in order to determine the SW wavenumber $|\vec{k}|$ excited by the coplanar waveguide. We show that it is crucial to consider the influence of magnetic anisotropy fields present in YIG thin films for precise determination of SW wavenumber. With the proposed methods we find that experimentally derived values of $|\vec{k}|$ are in perfect agreement with that obtained from electromagnetic simulation only if anisotropy fields are included.",1902.04608v1 2019-03-01,Indirect observation of phase conjugate magnons from non-degenerate four-wave mixing,"A phase conjugate mirror utilising four-wave mixing in a magnetic system is experimentally realised for the first time. Indirect evidence of continuous-wave phase conjugation has been observed experimentally and is supported by simulations. The experiment utilizes a pump-probe method to excite a four-wave mixing process. Two antennae are used to pump a region of a thin-film yttrium iron garnet waveguide with magnons of frequency $f_{1}$ to create a spatio-temporally periodic potential. As the probe magnons of $f_{\mathrm{p}}$ impinge on the pumped region, a signal with frequency $f_{\mathrm{c}} = 2f_{1}-f_{\mathrm{p}}$ is observed. The amplitude of the nonlinear signal was highly dependent on the applied magnetic field $H$. Width modes of the probe magnons and standing wave modes of the pump magnons were shown to affect the amplitude of the signal at $f_{\mathrm{c}}$. Experimental data is compared with simulations and theory to suggest that $f_{\mathrm{c}}$ is a phase conjugate of $f_{\mathrm{p}}$.",1903.00400v1 2019-03-05,Optimal mode matching in cavity optomagnonics,"Inelastic scattering of photons is a promising technique to manipulate magnons but it suffers from weak intrinsic coupling. We theoretically discuss an idea to increase optomagnonic coupling in optical whispering gallery mode cavities, by generalizing previous analysis to include the exchange interaction. We predict that the optomagnonic coupling constant to surface magnons in yttrium iron garnet (YIG) spheres with radius $300\,\mathrm{\mu}$m can be up to $40$ times larger than that to the macrospin Kittel mode. Whereas this enhancement falls short of the requirements for magnon manipulation in YIG, nanostructuring and/or materials with larger magneto-optical constants can bridge this gap.",1903.01718v2 2019-03-09,Theory of the magnon Kerr effect in cavity magnonics,"We develop a theory for the magnon Kerr effect in a cavity magnonics system, consisting of magnons in a small yttrium iron garnet (YIG) sphere strongly coupled to cavity photons, and use it to study the bistability in this hybrid system. To have a complete picture of the bistability phenomenon, we analyze two different cases in driving the cavity magnonics system, i.e., directly pumping the YIG sphere and the cavity, respectively. In both cases, the magnon frequency shifts due to the Kerr effect exhibit a similar bistable behavior but the corresponding critical powers are different. Moreover, we show how the bistability of the system can be demonstrated using the transmission spectrum of the cavity. Our results are valid in a wide parameter regime and generalize the theory of bistability in a cavity magnonics system.",1903.03754v1 2019-03-29,Quantum Simulation of the Fermion-Boson Composite Quasi-Particles with a Driven Qubit-Magnon Hybrid Quantum System,"We experimentally demonstrate strong coupling between the ferromagnetic magnons in a small yttrium-iron-garnet (YIG) sphere and the drive-field-induced dressed states of a superconducting qubit, which gives rise to the double dressing of the superconducting qubit. The YIG sphere and the superconducting qubit are embedded in a microwave cavity and the effective coupling between them is mediated by the virtual cavity photons. The theoretical results fit the experimental observations well in a wide region of the drive-field power resonantly applied to the superconducting qubit and reveal that the driven qubit-magnon hybrid quantum system can be harnessed to emulate a particle-hole-symmetric pair coupled to a bosonic mode. This hybrid quantum system offers a novel platform for quantum simulation of the composite quasi-particles consisting of fermions and bosons.",1903.12498v1 2019-04-08,Quantum entanglement between two magnon modes via Kerr nonlinearity,"We propose a scheme to entangle two magnon modes via Kerr nonlinear effect when driving the systems far-from-equilibrium. We consider two macroscopic yttrium iron garnets (YIGs) interacting with a single-mode microcavity through the magnetic dipole coupling. The Kittel mode describing the collective excitations of large number of spins are excited through driving cavity with a strong microwave field. We demonstrate how the Kerr nonlineraity creates the entangled quantum states between the two macroscopic ferromagnetic samples, when the microcavity is strongly driven by a blue-detuned microwave field. Such quantum entanglement survives at the steady state. Our work offers new insights and guidance to designate the experiments for observing the entanglement in massive ferromagnetic materials. It can also find broad applications in macroscopic quantum effects and magnetic spintronics.",1904.04167v1 2019-04-09,Ferromagnetic Resonance Studies of Strain tuned Bi:YIG Films,"Bismuth-doped Yttrium iron garnet (Bi:YIG) thin films known for large Magneto-optical activity with low losses still needs to get probed for its magnetization dynamics. We demonstrate a controlled tuning of magnetocrystalline anisotropy in Bi-doped Y_3 Fe_5 O_12 (Bi:YIG) films of high crystalline quality using growth induced epitaxial strain on [111]-oriented Gd_3 Ga_5 O_12 (GGG) substrate. We optimize a growth protocol to get thick highly-strained epitaxial films showing large magneto-crystalline anisotropy, compare to thin films prepared using a different protocol. Ferromagnetic resonance measurements establish a linear dependence of the out-of-plane uniaxial anisotropy on the strain induced rhombohedral distortion of Bi:YIG lattice. Interestingly, the enhancement in the magnetoelastic constant due to an optimum substitution of Bi^(3+) ions with strong spin orbit coupling does not strongly affect the precessional damping (~2x10^(-3) ). Large magneto-optical activity, reasonably low damping, large magnetocrystalline anisotropy and large magnetoelastic coupling in BiYIG are the properties that may help BiYIG emerge as a possible material for photo-magnonics and other spintronics applications.",1904.04800v2 2019-04-23,Current-induced switching of YIG/Pt bilayers with in-plane magnetization due to Oersted fields,"We report on the switching of the in-plane magnetization of thin yttrium iron garnet (YIG)/Pt bilayers induced by an electrical current. The switching is either field-induced and assisted by a dc current, or current-induced and assisted by a static magnetic field. The reversal of the magnetization occurs at a current density as low as $10^5$~A/cm$^{2}$ and magnetic fields of $\sim 40$~$\mu$T, two orders of magnitude smaller than in ferromagnetic metals, consistently with the weak uniaxial anisotropy of the YIG layers. We use the transverse component of the spin Hall magnetoresistance to sense the magnetic orientation of YIG while sweeping the current. Our measurements and simulations reveal that the current-induced effective field responsible for switching is due to the Oersted field generated by the current flowing in the Pt layer rather than by spin-orbit torques, and that the switching efficiency is influenced by pinning of the magnetic domains.",1904.10517v1 2019-05-20,Quantum drives produce strong entanglement between YIG samples without using intrinsic nonlinearities,"We show how to generate an entangled pair of yttrium iron garnet (YIG) samples in a cavity-magnon system without using any nonlinearities which are typically very weak. This is against the conventional wisdom which necessarily requires strong Kerr like nonlinearity. Our key idea, which leads to entanglement, is to drive the cavity by a weak squeezed vacuum field generated by a flux-driven Josephson parametric amplifier (JPA). The two YIG samples interact via the cavity. For modest values of the squeezing of the pump, we obtain significant entanglement. This is the principal feature of our scheme. We discuss entanglement between macroscopic spheres using several different quantitative criteria. We show the optimal parameter regimes for obtaining entanglement which is robust against temperature. We also discuss squeezing of the collective magnon variables.",1905.07884v2 2019-05-28,Broadband enhancement of the magneto-optical activity of hybrid Au loaded Bi:YIG,"We unravel the underlying near-field mechanism of the enhancement of the magneto-optical activity of bismuth-substituted yttrium iron garnet films (Bi:YIG) loaded with gold nanoparticles. The experimental results show that the embedded gold nanoparticles lead to a broadband enhancement of the magneto-optical activity with respect to the activity of the bare Bi:YIG films. Full vectorial near- and far-field simulations demonstrate that this broadband enhancement is the result of a magneto-optically enabled cross-talking of orthogonal localized plasmon resonances. Our results pave the way to the on-demand design of the magneto-optical properties of hybrid magneto-plasmonic circuitry.",1905.11941v1 2019-05-31,Detecting Light Dark Matter with Magnons,"Scattering of light dark matter with sub-eV energy deposition can be detected with collective excitations in condensed matter systems. When dark matter has spin-independent couplings to atoms or ions, it has been shown to efficiently excite phonons. Here we show that, if dark matter couples to the electron spin, magnon excitations in materials with magnetic dipole order offer a promising detection path. We derive general formulae for single magnon excitation rates from dark matter scattering, and demonstrate as a proof of principle the projected reach of a yttrium iron garnet target for several dark matter models with spin-dependent interactions. This highlights the complementarity of various collective excitations in probing different dark matter interactions.",1905.13744v2 2019-06-04,Thickness dependence of spin Peltier effect visualized by thermal imaging technique,"Magnon propagation length in a ferrimagnetic insulator yttrium iron garnet (YIG) has been investigated by measuring and analyzing the YIG-thickness t_YIG dependence of the spin Peltier effect (SPE) in a Pt/YIG junction system. By means of the lock-in thermography technique, we measured the spatial distribution of the SPE-induced temperature modulation in the Pt/YIG system with the t_YIG gradation, allowing us to obtain the accurate t_YIG dependence of SPE with high t_YIG resolution. Based on the t_YIG dependence of SPE, we verified the applicability of several phenomenological models to estimate the magnon diffusion length in YIG.",1906.01560v3 2019-06-11,Proximity magnetoresistance in graphene induced by magnetic insulators,"We demonstrate the existence of Giant proximity magnetoresistance (PMR) effect in a graphene spin valve where spin polarization is induced by a nearby magnetic insulator. PMR calculations were performed for yttrium iron garnet (YIG), cobalt ferrite (CFO), and two europium chalcogenides EuO and EuS. We find a significant PMR (up to 100%) values defined as a relative change of graphene conductance with respect to parallel and antiparallel alignment of two proximity induced magnetic regions within graphene. Namely, for high Curie temperature (Tc) CFO and YIG insulators which are particularly important for applications, we obtain 22% and 77% at room temperature, respectively. For low Tc chalcogenides, EuO and EuS, the PMR is 100% in both cases. Furthermore, the PMR is robust with respect to system dimensions and edge type termination. Our findings show that it is possible to induce spin polarized currents in graphene with no direct injection through magnetic materials.",1906.04469v1 2019-06-24,Macroscopic entanglement of two magnon modes via quantum correlated microwave fields,"We present a scheme to entangle two magnon modes in two macroscopic yttrium-iron-garnet spheres. The two spheres are placed inside two microwave cavities, which are driven by a two-mode squeezed microwave field. By using the linear state-swap interaction between the cavity and the magnon mode in each cavity, the quantum correlation of the two driving fields is with high efficiency transferred to the two magnon modes. Considerable entanglement could be achieved under experimentally achievable conditions $g \gg \kappa_a \gg \kappa_m$, where $g$ is the cavity-magnon coupling rate and $\kappa_a$, $\kappa_m$ are the decay rates of the cavity and magnon modes, respectively. The entanglement is in the steady state and robust against temperature, surviving up to hundreds of milliKelvin with experimentally accessible two-mode squeezed source.",1906.09921v1 2019-06-30,Large spatial Schrodinger cat using a levitated ferrimagnetic nanoparticle,"The superposition principle is one of the main tenets of quantum mechanics. Despite its counter-intuitiveness, it has been experimentally verified using electrons, photons, atoms, and molecules. However, a similar experimental demonstration using a nano or a micro particle is non-existent. Here in this Letter, exploiting macroscopic quantum coherence and quantum tunneling, we propose an experiment using levitated magnetic nanoparticle to demonstrate such an effect. It is shown that the spatial separation between the delocalized wavepackets of a $20~$nm ferrimagnetic yttrium iron garnet (YIG) nanoparticle can be as large as $5~$$\mu$m. We argue that this large spatial separation can be used to test different modifications such as collapse models to the standard quantum mechanics. Furthermore, we show that the spatial superposition of a core-shell structure, a YIG core and a non-magnetic silica shell, can be used to probe quantum gravity.",1907.00415v4 2019-07-15,Tuning edge localized spin waves in magnetic microstripes by proximate magnetic structures,"The propagation of edge localized spin waves (E-SWs) in yttrium iron garnet (YIG) microstripes with/without the proximate magnetic microstructures is investigated by micromagnetic simulations. A splitting of the dispersion curve with the presence of permalloy (Py) stripe is also observed. The E-SWs on the two edges of YIG stripe have different wavelengths, group velocities, and decay lengths at the same frequencies. The role of the Py stripe was found to be the source of the inhomogeneous static dipolar field without dynamic coupling with YIG. This work opens new perspectives for the design of innovative SW interference-based logic devices.",1907.06718v1 2019-07-20,Magnon Bose-Einstein condensate and supercurrents over a wide temperature range,"Magnon Bose-Einstein Condensates (BECs) and supercurrents are coherent quantum phenomena, which appear on a macroscopic scale in parametrically populated solid state spinsystems. One of the most fascinating and attractive features of these processes is the possibility of magnon condensation and supercurrent excitation even at room temperature. At the same time, valuable information about a magnon BEC state, such as its lifetime, its formation threshold, and coherency, is provided by experiments at various temperatures. Here, we use Brillouin Light Scattering (BLS) spectroscopy for the investigation of the magnon BEC dynamics in a single-crystal film of yttrium iron garnet in a wide temperature range from 30 K to 380 K. By comparing the BLS results with previous microwave measurements, we re-vealed the direct relation between the damping of the condensed and the parametrically injected magnons. The enhanced supercurrent dynamics was detected at 180 K near the minimum of BEC damping.",1907.08805v1 2019-08-01,Universal prethermal dynamics in Heisenberg ferromagnets,"We study the universal far from equilibrium dynamics of magnons in Heisenberg ferromagnets. We show that such systems exhibit universal scaling in momentum and time of the quasiparticle distribution function, with the universal exponents distinct from those recently observed in Bose-Einstein condensates. This new universality class originates from the SU(2) symmetry of the Hamiltonian, which leads to a strong momentum-dependent magnon-magnon scattering amplitude. We compute the universal exponents using the Boltzmann kinetic equation and incoherent initial conditions that can be realized with microwave pumping of magnons. We compare our numerical results with analytic estimates of the scaling exponents and demonstrate the robustness of the scaling to variations in the initial conditions. Our predictions can be tested in quench experiments of spin systems in optical lattices and pump-probe experiments in ferromagnetic insulators such as yttrium iron garnet.",1908.00554v2 2019-08-30,Amplitude and Phase Noise of Magnons,"The low-frequency amplitude and phase noise spectra of magnetization waves, i.e. magnons, was measured in the yttrium iron garnet (YIG) waveguides. This type of noise, which originates from the fluctuations of the physical properties of the YIG crystals, has to be taken into account in the design of YIG-based RF generators and magnonic devices for data processing, sensing and imaging applications. It was found that the amplitude noise level of magnons depends strongly on the power level, increasing sharply at the on-set of nonlinear dissipation. The noise spectra of both the amplitude and phase noise have the Lorentzian shape with the characteristic frequencies below 100 Hz.",1909.00085v1 2019-09-27,Thermally driven two-magnet nano-oscillator with large spin-charge conversion,"Next-generation spintronic applications require material properties that can be hardly met by one material candidate. Here we demonstrate that by combining insulating and metallic magnets, enhanced spin-charge conversion and energy-efficient thermal spin currents can be realized. We develop a nanowire device consisting of an yttrium iron garnet and permalloy bi-layer. An interfacial temperature gradient drives the nanowire magnetization into auto-oscillations at gigahertz frequencies. Interfacial spin coupling and magnetoresistance of the permalloy layer translate spin dynamics into sizable microwave signals. The results show prospect for energy-efficient spintronic devices and present an experimental realization of magnon condensation in a heterogeneous magnetic system.",1909.12445v1 2019-10-16,Spin-Wave frequency division multiplexing in an yttrium iron garnet microstripe magnetized by inhomogeneous field,"Spin waves are promising candidates for information processing and transmission in a broad frequency range. In the realization of magnonic devices, the frequency depended division of the spin wave frequencies is a critical function for parallel information processing. In this work, we demonstrate a proof-of-concept spin-wave frequency division multiplexing method by magnetizing a homogenous magnetic microstripe with an inhomogeneous field. The symmetry breaking additional field is introduced by a permalloy stripe simply placed in lateral proximity to the waveguide. Spin waves with different frequencies can propagate independently, simultaneously and separately in space along the shared waveguide. This work brings new potentials for parallel information transmission and processing in magnonics.",1910.07136v1 2019-10-23,Electrical manipulation of spin pumping signal through nonlocal thermal magnon transport,"We study the magnon transport in the nonlocal configuration composed of two Pt strips on top of yttrium iron garnet, with and without the presence of RF microwave generated by an on-chip antenna. We find that the spin-Hall induced thermal magnon heating/cooling, the Oersted field as well as the Joule heating generated by the a.c. current in the Pt injector can significantly influence the spin-pumping signal measured by the Pt detector in the presence of RF microwave, forcing the spin-pumping voltage to show up in the first and second harmonic signals in the nonlocal magnon transport measurement. These results indicate that nonlocal magnon transport configuration can serve as a structure to electrically detect and manipulate the spin-pumping signal. Furthermore, certain caution is needed when studying the interplay between incoherent magnon and coherent magnon spin transport in the nonlocal transport configuration, since the change in microwave-induced spin-pumping voltage can overwhelm the incoherent magnon transport signals.",1910.10326v2 2019-10-24,Resources of nonlinear cavity magnonics for quantum information,"We theoretically explore nonlinearities of ferromagnets in microwave cavities in the classical and quantum regimes, and assess the resources for quantum information, i.e. fluctuation squeezing and bipartite entanglement. The (semi-)classical analysis of the anharmonic oscillator (Duffing) model for the Kittel mode when including all other magnon modes, reveals chaotic and limit-cycle phases that do not survive in quantum calculations. However, magnons with nonzero wavenumbers that are driven by the Suhl instability of the Kittel mode, form a genuine limit cycle. We subsequently compute bounds for the distillable entanglement, as well as entanglement of formation for the bipartite configurations of the mixed magnon modes. The distillable entanglement of bipartite states accessible from a covariance matrix vanishes, but can be recovered by injection locking. The predicted magnon entanglement can be experimentally tested with yttrium iron garnet samples under realistic conditions.",1910.11130v1 2019-10-29,Transient response of spin Peltier effect revealed by lock-in thermoreflectance measurement,"Transient response of the spin Peltier effect (SPE) in a Pt/yttrium iron garnet junction system has been investigated by means of a lock-in thermoreflectance method. We applied an alternating charge current to the Pt layer to drive SPE through the spin Hall effect, and measured the AC response of the resultant SPE-induced temperature modulation at frequencies ranging from 10 Hz to 1 MHz. We found that the SPE-induced temperature modulation decreases with increasing the frequency when the frequency is >1 kHz. This is a characteristic feature of SPE revealed by the high frequency measurements based on the lock-in thermoreflectance, while previous low frequency measurements showed that the SPE signal is independent of the frequency. We attribute the decrease of the temperature modulation to the length scale of the SPE-induced heat current; by comparing the experimental results with one-dimensional heat conduction calculations, the length scale of SPE is estimated to be 0.94 {\mu}m.",1910.13165v2 2019-10-30,Strong coupling-enabled broadband non-reciprocity,"Non-reciprocity of signal transmission enhances capacity of communication channels and protects transmission quality against possible signal instabilities, thus becoming an important component ensuring coherent information processing. However, non-reciprocal transmission requires breaking time-reversal symmetry (TRS) which poses challenges of both practical and fundamental character hindering the progress. Here we report a new scheme for achieving broadband non-reciprocity using a specially engineered hybrid microwave cavity. The TRS breaking is realized via strong coherent coupling between a selected chiral mode in the microwave cavity and a single collective spin excitation (magnon) in a ferromagnetic yttrium iron garnet (YIG) sphere. The non-reciprocity in transmission is observed spanning nearly a 0.5 GHz frequency band, which outperforms by two orders of magnitude the previously achieved bandwidths. Our findings open new directions for robust coherent information processing in a broad range of systems in both classical and quantum regimes.",1910.14117v2 2019-10-31,Coherent spin pumping in a strongly coupled magnon-magnon hybrid system,"We experimentally identify coherent spin pumping in the magnon-magnon hybrid modes of permalloy/yttrium iron garnet (Py/YIG) bilayers. Using broadband ferromagnetic resonance, an ""avoided crossing"" is observed between the uniform mode of Py and the spin wave mode of YIG due to the fieldlike interfacial exchange coupling. We also identify additional linewidth suppression and enhancement for the in-phase and out-of-phase hybrid modes, respectively, \textcolor{black}{which can be interpreted as concerted dampinglike torque from spin pumping}. Our analysis predicts inverse proportionality of both fieldlike and dampinglike torques to the square root of the Py thickness, which quantitatively agrees with experiments.",1910.14470v2 2019-11-09,The magnonic superfluid droplet at room temperature,"We declare the observation of spin superfluid state in Yttrium Iron Garnet (YIG) at room temperature. It is similar to a Homogeneous Precessing State (HPD), observed earlier in antiferromagnetic superfluid $^3$He-B. The formation of this state explains by the repulsive interaction between magnons, which is required as a prior condition for the spin superfluidity. It establishes an energy gap, which stabilizes the long range superfluid transport of magnetization and determines the Ginzburg-Landau coherence length. This discovery paves a way to many quantum applications of supermagnonics at room temperature, such as magnetic Josephson effect, long distance spin transport, Q-bit, quantum logics, magnetic sensors and others.",1911.03708v1 2019-11-26,Ultrastrong coupling between a microwave resonator and antiferromagnetic resonances of rare earth ion spins,"Quantum magnonics is a new and active research field, leveraging the strong collective coupling between microwaves and magnetically ordered spin systems. To date work in quantum magnonics has focused on transition metals and almost entirely on ferromagnetic resonances in yttrium iron garnet (YIG). Antiferromagnetic systems have gained interest as they produce no stray field, and are therefore robust to magnetic perturbations and have narrow, shape independent resonant linewidths. Here we show the first experimental evidence of ultrastrong-coupling between a microwave cavity and collective antiferromagnetic resonances (magnons) in a rare earth crystal. The combination of the unique optical and spin properties of the rare earths and collective antiferromagnetic order paves the way for novel quantum magnonic applications.",1911.11311v1 2019-12-15,Magnon-photon strong coupling for tunable microwave circulators,"We present a generic theoretical framework to describe non-reciprocal microwave circulation in a multimode cavity magnonic system and assess the optimal performance of practical circulator devices. We show that high isolation (> 56 dB), extremely low insertion loss (< 0.05 dB), and flexible bandwidth control can be potentially realized in high-quality-factor superconducting cavity based magnonic platforms. These circulation characteristics are analyzed with materials of different spin densities. For high-spin-density materials such as yttrium iron garnet, strong coupling operation regime can be harnessed to obtain a broader circulation bandwidth. We also provide practical design principles for a highly integratible low-spin-density material (vanadium tetracyanoethylene) for narrow-band circulator operation, which could benefit noise-sensitive quantum microwave measurements. This theory can be extended to other coupled systems and provide design guidelines for achieving tunable microwave non-reciprocity for both classical and quantum applications.",1912.07128v2 2020-01-15,Yttrium Iron Garnet Thickness Influence on the Spin Pumping in the Bulk Acoustic Wave Resonator,"The features of phonon-magnon interconversion in acoustic resonator determine the efficiency of spin pumping from YIG into Pt that may be detected electrically through the inverse spin Hall effect (ISHE). Based on the methods developed in previous works for calculating resonator structures with a piezoelectric (ZnO) and a magnetoelastic layer in contact with the heavy metal (YIG/Pt), we present the results of numerical calculations of YIG film thickness influence on acoustically driven spin waves. We obtain some YIG film thickness regions with various behavior of dc ISHE voltage $U_{ISHE}$. At micron and submicron thicknesses, the higher spin wave resonance (SWR) modes (both even and odd) can be generated with efficiency comparable and even exceeding that of the main mode. The absolute maximum of $U_{ISHE}$ is achieved at the thickness about $s_1 \approx 208$ nm under the excitation of the first SWR.",2001.05385v1 2020-02-11,Sub-micrometer near-field focusing of spin waves in ultrathin YIG films,"We experimentally demonstrate tight focusing of a spin wave beam excited in extended nanometer-thick films of Yttrium Iron Garnet by a simple microscopic antenna functioning as a single-slit near-field lens. We show that the focal distance and the minimum transverse width of the focal spot can be controlled in a broad range by varying the frequency/wavelength of spin waves and the antenna geometry. The experimental data are in good agreement with the results of numerical simulations. Our findings provide a simple solution for implementation of magnonic nano-devices requiring local concentration of the spin-wave energy.",2002.04284v1 2020-02-22,Bose-Einstein Condensation of Nonequilibrium Magnons in Confined Systems,"We study the formation of a room temperature magnon Bose-Einstein condensate (BEC) in nanoscopic systems and demonstrate that its lifetime is influenced by the spatial confinement. We predict how dipolar interactions and nonlinear magnon scattering assist in the generation of a metastable magnon BEC in energy-quantized nanoscopic devices. We verify our prediction by a full numerical simulation of the Landau-Lifshitz-Gilbert equation and demonstrate the generation of magnon BEC in confined insulating magnets of yttrium iron garnet. We directly map out the nonlinear magnon scattering processes behind this phase transition to show how fast quantized thermalization channels allow the BEC formation in confined structures. Based on our results, we discuss a new mechanism to manipulate the BEC lifetime in nanoscaled systems. Our study greatly extends the freedom to study the dynamics of magnon BEC in realistic systems and to design integrated circuits for BEC-based applications at room temperature.",2002.09777v2 2020-03-12,"Tunable multiwindow magnomechanically induced transparency, Fano resonances, and slow-to-fast light conversion","We investigate the absorption and transmission properties of a weak probe field under the influence of a strong control field in a hybrid cavity magnomechanical system in the microwave regime. This hybrid system consists of two ferromagnetic material yttrium iron garnet (YIG) spheres strongly coupled to a single cavity mode. In addition to two magnon-induced transparency (MIT) that arise due to strong photon-magnon interactions, we observe a magnomechanically induced transparency (MMIT) due to the presence of nonlinear phonon-magnon interaction. In addition, we discuss the emergence and tunability of the multiple Fano resonances in our system. We find that due to strong photon-magnon coupling the group delay of the probe field can be enhanced significantly. The subluminal or superluminal propagation depends on the frequency of the magnons, which can be easily tuned by an external bias magnetic field. Besides, the group delay of the transmitted field can also be controlled with the control field power.",2003.13760v4 2020-04-11,Brillouin Light Scattering of Spin Waves Inaccessible with Free-Space Light,"Micro-focus Brillouin light scattering is a powerful technique for the spectroscopic and spatial characterization of elementary excitations in materials. However, the small momentum of light limits the accessible excitations to the center of the Brillouin zone. Here, we utilize a metallic nanoantenna fabricated on the archetypal ferrimagnet yttrium iron garnet to demonstrate the possibility of Brillouin light scattering from large-wavevector, high-frequency spin wave excitations that are inaccessible with free-space light. The antenna facilitates sub-diffraction confinement of electromagnetic field, which enhances the local field intensity and generates momentum components significantly larger than those of free-space light. Our approach provides access to high frequency spin waves important for fast nanomagnetic devices, and can be generalized to other types of excitations and light scattering techniques.",2004.05314v1 2020-04-25,Pulse-assisted magnetization switching in magnetic nanowires at picosecond and nanosecond timescales with low energy,"Detailed understanding of spin dynamics in magnetic nanomaterials is necessary for developing ultrafast, low-energy and high-density spintronic logic and memory. Here, we develop micromagnetic models and analytical solutions to elucidate the effect of increasing damping and uniaxial anisotropy on magnetic field pulse-assisted switching time, energy and field requirements of nanowires with perpendicular magnetic anisotropy and yttrium iron garnet-like spin transport properties. A nanowire is initially magnetized using an external magnetic field pulse (write) and self-relaxation. Next, magnetic moments exhibit deterministic switching upon receiving 2.5 ns-long external magnetic pulses in both vertical polarities. Favorable damping ({\alpha}~0.1-0.5) and anisotropy energies (10^4-10^5 J m^-3) allow for as low as picosecond magnetization switching times. Magnetization reversal with fields below coercivity was observed using spin precession instabilities. A competition or a nanomagnetic trilemma arises among the switching rate, energy cost and external field required. Developing magnetic nanowires with optimized damping and effective anisotropy could reduce the switching energy barrier down to 3163kBT at room temperature. Thus, pulse-assisted picosecond and low energy switching in nanomagnets could enable ultrafast nanomagnetic logic and cellular automata.",2004.12243v1 2020-05-10,Stationary entanglement between light and microwave via ferromagnetic magnons,"We show how to generate stationary entanglement between light and microwave in a hybrid opto-electro-magnonical system which mainly consists of a microwave cavity, a yttrium iron garnet (YIG) sphere and a nanofiber. The optical modes in nanofiber can evanescently coupled to whispering gallery modes, that are able to interact with magnon mode via spin-orbit interaction, in YIG sphere, while the microwave cavity photons and magnons are coupled through magnetic dipole interaction simultaneously. Under reasonable parameter regimes, pretty amount of entanglement can be generated, and it also shows persistence against temperature. Our work is expected to provide a new perspective for building more advanced and comprehensive quantum networks along with magnons for fast-developing quantum technology and for studying the macroscopic quantum phenomena.",2005.04581v3 2020-05-20,Frequency mixing in a ferrimagnetic sphere resonator,"Frequency mixing in ferrimagnetic resonators based on yttrium and calcium vanadium iron garnets (YIG and CVBIG) is employed for studying their nonlinear interactions. The ferrimagnetic Kittel mode is driven by applying a pump tone at a frequency close to resonance. We explore two nonlinear frequency mixing configurations. In the first one, mixing between a transverse pump tone and an added longitudinal weak signal is explored, and the experimental results are compared with the predictions of the Landau-Zener-Stuckelberg model. In the second one, intermodulation measurements are employed by mixing pump and signal tones both in the transverse direction for studying a bifurcation between a stable spiral and a stable node attractors. Our results are applicable for developing sensitive signal receivers with high gain for both the radio frequency and the microwave bands.",2005.09864v1 2020-06-05,Controlling the nonlinear relaxation of quantized propagating magnons in nanodevices,"Relaxation of linear magnetization dynamics is well described by the viscous Gilbert damping processes. However, for strong excitations, nonlinear damping processes such as the decay via magnon-magnon interactions emerge and trigger additional relaxation channels. Here, we use space- and time-resolved microfocused Brillouin light scattering spectroscopy and micromagnetic simulations to investigate the nonlinear relaxation of strongly driven propagating spin waves in yttrium iron garnet nanoconduits. We show that the nonlinear magnon relaxation in this highly quantized system possesses intermodal features, i.e., magnons scatter to higher-order quantized modes through a cascade of scattering events. We further show how to control such intermodal dissipation processes by quantization of the magnon band in single-mode devices, where this phenomenon approaches its fundamental limit. Our study extends the knowledge about nonlinear propagating spin waves in nanostructures which is essential for the construction of advanced spin-wave elements as well as the realization of Bose-Einstein condensates in scaled systems.",2006.03400v2 2020-06-11,Nonlocal magnon entanglement generation in coupled hybrid cavity systems,"We investigate dynamical generation of macroscopic nonlocal entanglements between two remote massive magnon-superconducting-circuit hybrid systems. Two fiber-coupled microwave cavities are employed to serve as an interaction channel connecting two sets of macroscopic hybrid units each containing a magnon (hosted by a Yttrium-Iron-Garnet sphere) and a superconducting-circuit qubit. Surprisingly, it is found that stronger coupling does not necessarily mean faster entanglement generation. The proposed hybrid system allows the existence of an optimal fiber coupling strength that requests the shortest amount of time to generate a systematic maximal entanglement. Our theoretical results are shown to be within the scope of specific parameters that can be achieved with current technology. The noise effects on the implementation of systems are also treated in a general environment suggesting the robustness of entanglement generation. Our discrete-variable qubit-like entanglement theory of magnons may lead to direct applications in various quantum information tasks.",2006.06132v3 2020-06-25,Magnon-exciton proximity coupling at a van der Waals heterointerface,"Spin and photonic systems are at the heart of modern information devices and emerging quantum technologies. An interplay between electron-hole pairs (excitons) in semiconductors and collective spin excitations (magnons) in magnetic crystals would bridge these heterogeneous systems, leveraging their individual assets in novel interconnected devices. Here, we report the magnon-exciton coupling at the interface between a magnetic thin film and an atomically-thin semiconductor. Our approach allies the long-lived magnons hosted in a film of yttrium iron garnet (YIG) to strongly-bound excitons in a flake of a transition metal dichalcogenide, MoSe$_2$. The magnons induce on the excitons a dynamical valley Zeeman effect ruled by interfacial exchange interactions. This nascent class of hybrid system suggests new opportunities for information transduction between microwave and optical regions.",2006.14257v2 2020-07-20,Sizable spin-transfer torque in Bi/Ni80Fe20 bilayer film,"The search for efficient spin conversion in Bi has attracted great attention in spin-orbitronics. In the present work, we employ spin-torque ferromagnetic resonance to investigate spin conversion in Bi/Ni80Fe20(Py) bilayer films with continuously varying Bi thickness. In contrast with previous studies, sizable spin-transfer torque (i.e., a sizable spin-conversion effect) is observed in Bi/Py bilayer film. Considering the absence of spin conversion in Bi/yttrium-iron-garnet bilayers and the enhancement of spin conversion in Bi-doped Cu, the present results indicate the importance of material combinations to generate substantial spin-conversion effects in Bi.",2007.09830v1 2020-07-27,Probing thermal magnon current mediated by coherent magnon via nitrogen-vacancy centers in diamond,"Currently, thermally excited magnons are being intensively investigated owing to their potential in computing devices and thermoelectric conversion technologies. We report the detection of thermal magnon current propagating in a magnetic insulator yttrium iron garnet under a temperature gradient using a quantum sensor: electron spins associated with nitrogen-vacancy (NV) centers in diamond. Thermal magnon current was observed as modified Rabi oscillation frequencies of NV spins hosted in a beam-shaped bulk diamond that resonantly coupled with coherent magnon propagating over a long distance. Additionally, using a nanodiamond, alteration in NV spin relaxation rates depending on the applied temperature gradient were observed under a non-resonant NV excitation condition. The demonstration of probing thermal magnon current mediated by coherent magnon via NV spin states serves as a basis for creating a device platform hybridizing spin caloritronics and spin qubits.",2007.13433v6 2020-07-30,Coherent multi-mode conversion from microwave to optical wave via a magnon-cavity hybrid system,"Coherent conversion from microwave to optical wave opens new research avenues towards long distant quantum network covering quantum communication, computing, and sensing out of the laboratory. Especially multi-mode enabled system is essential for practical applications. Here we experimentally demonstrate coherent multi-mode conversion from the microwave to optical wave via collective spin excitation in a single crystal yttrium iron garnet (YIG, Y3Fe5O12) which is strongly coupled to a microwave cavity mode in a three-dimensional rectangular cavity. Expanding collective spin excitation mode of our magnon-cavity hybrid system from Kittel to multi magnetostatic modes, we verify that the size of YIG sphere predominantly plays a crucial role for the microwave-to-optical multi-mode conversion efficiency at resonant conditions. We also find that the coupling strength between multi magnetostatic modes and a cavity mode is manipulated by the position of a YIG inside the cavity. It is expected to be valuable for designing a magnon hybrid system that can be used for coherent conversion between microwave and optical photons.",2007.15299v1 2020-08-04,Quantitative comparison of magnon transport experiments in three-terminal YIG/Pt nanostructures acquired via dc and ac detection techniques,"All-electrical generation and detection of pure spin currents is a promising way towards controlling the diffusive magnon transport in magnetically ordered insulators. We quantitatively compare two measurement schemes, which allow to measure the magnon spin transport in a three-terminal device based on a yttrium iron garnet thin film. We demonstrate that the dc charge current method based on the current reversal technique and the ac charge current method utilizing first and second harmonic lock-in detection can both efficiently distinguish between electrically and thermally injected magnons. In addition, both measurement schemes allow to investigate the modulation of magnon transport induced by an additional dc charge current applied to the center modulator strip. However, while at low modulator charge current both schemes yield identical results, we find clear differences above a certain threshold current. This difference originates from nonlinear effects of the modulator current on the magnon conductance.",2008.01416v1 2020-09-09,Sub-pico-liter magneto-optical cavities,"Microwave-to-optical conversion via ferromagnetic magnons has so-far been limited by the optical coupling rates achieved in mm-scale whispering gallery mode resonators. Towards overcoming this limitation, we propose and demonstrate an open magneto-optical cavity containing a thin-film of yttrium iron garnet (YIG). We achieve a 0.1 pL (100 $\mu$m$^{3}$) optical mode volume, $\sim$50 times smaller than previous devices. From this, we estimate the magnon single-photon coupling rate is $G\approx50$ Hz. This open cavity design offers the prospect of wavelength scale mode volumes, small polarization splittings, and good magneto-optical mode overlap. With achievable further improvements and optimization, efficient microwave-optical conversion and magnon cooling devices become a realistic possibility.",2009.04162v1 2020-09-09,Effect of dipolar interactions on cavity magnon-polaritons,"The strong photon-magnon coupling between an electromagnetic cavity and two yttrium iron garnet (YIG) spheres has been investigated in the context of a strong mutual dipolar interaction between the spheres. A decrease in the coupling strength between the YIG spheres and the electromagnetic cavity is observed, along with an increase of the total magnetic losses, as the distance between the spheres is decreased. A model of inhomogeneous broadening of the ferromagnetic resonance linewidth, partly mitigated by the dipolar narrowing effect, reproduces the reduction in the coupling strength observed experimentally. These findings have important implications for the understanding of strongly coupled photon-magnon system involving densely packed magnetic objects, such as ferromagnetic nanowires arrays, in which the total coupling strength with an electromagnetic cavity might become limited due to mutual dipolar interactions.",2009.04557v1 2020-09-30,Phase-modulated cavity magnon polaritons as a precise magnetic field probe,"We describe and operate a novel spin-magnetometer based on the phase modulation of cavity magnon polaritons. In this scheme a rf magnetic field is detected through the sidebands it induces on a pump, and the experimental configuration allows for a negligible pump noise and a high frequency readout. The demonstrator setup, based on a copper cavity coupled to an yttrium iron garnet sphere hybrid system, reached a sensitivity of $2.0\,\mathrm{pT/\sqrt{Hz}}$, evading the pump noise and matching the theoretical previsions. An optimized setup can attain a rf magnetic field sensitivity of about $8\,\mathrm{fT/\sqrt{Hz}}$ at room temperature. An orders of magnitude improvement is expected at lower temperatures, making this instrument one of the few magnetometers accessing the sub-fT limit. Due to its natural applications, miniaturization and multiplexing are eventually discussed.",2010.00093v3 2020-10-09,Einstein-Podolsky-Rosen entanglement and asymmetric steering between distant macroscopic mechanical and magnonic systems,"We propose a deterministic scheme for establishing hybrid Einstein-Podolsky-Rosen (EPR) entanglement channel between a macroscopic mechanical oscillator and a magnon mode in a distant yttrium-iron-garnet (YIG) sphere across about ten gigahertz of frequency difference. The system consists of a driven electromechanical cavity which is unidirectionally coupled to a distant electromagnonical cavity inside which a YIG sphere is placed. We find that far beyond the sideband-resolved regime in the electromechanical subsystem, stationary phonon-magnon EPR entanglement can be achieved. This is realized by utilizing the output field of the electromechanical cavity being an intermediary which distributes the electromechanical entanglement to the magnons, thus establishing a remote phonon-magnon entanglement. The EPR entanglement is strong enough such that phonon-magnon quantum steering can be attainable in an asymmetric manner. This long-distance macroscopic hybrid EPR entanglement and steering enable potential applications not only in fundamental tests of quantum mechanics at the macro scale, but also in quantum networking and one-sided device-independent quantum cryptography based on magnonics and electromechanics.",2010.04357v1 2020-10-18,Observation of magnon-polarons in a uniaxial antiferromagnetic insulator,"Magnon-polarons, a type of hybridized excitations between magnons and phonons, were first reported in yttrium iron garnet as anomalies in the spin Seebeck effect responses. Here we report an observation of antiferromagnetic (AFM) magnon-polarons in a uniaxial AFM insulator Cr2O3. Despite the relatively higher energy of magnon than that of the acoustic phonons, near the spin-flop transition of ~ 6 T, the left-handed magnon spectrum shifts downward to hybridize with the acoustic phonons to form AFM magnon-polarons, which can also be probed by the spin Seebeck effect. The spin Seebeck signal is founded to be enhanced due to the magnon-polarons at low temperatures.",2010.08926v1 2020-10-24,Enhanced sensing of weak anharmonicities through coherences in dissipatively coupled anti-PT symmetric systems,"In the last few years, the great utility of PT-symmetric systems in sensing small perturbations has been recognized. Here, we propose an alternate method relevant to dissipative systems, especially those coupled to the vacuum of the electromagnetic fields. In such systems, which typically show anti-PT symmetry and do not require the incorporation of gain, vacuum induces coherence between two modes. Owing to this coherence, the linear response acquires a pole on the real axis. We demonstrate how this coherence can be exploited for the enhanced sensing of very weak anhamonicities at low pumping rates. Higher drive powers ($\sim 0.1$ W), on the other hand, generate new domains of coherences. Our results are applicable to a wide class of systems, and we specifically illustrate the remarkable sensing capabilities in the context of a weakly anharmonic Yttrium Iron Garnet (YIG) sphere interacting with a cavity via a tapered fiber waveguide. A small change in the anharmonicity leads to a substantial change in the induced spin current.",2010.12954v1 2020-11-16,Electrically induced strong modulation of magnons transport in ultrathin magnetic insulator films,"Magnon transport through a magnetic insulator can be controlled by current-biased heavy-metal gates that modulate the magnon conductivity via the magnon density. Here, we report nonlinear modulation effects in 10$\,$nm thick yttrium iron garnet (YIG) films. The modulation efficiency is larger than 40\%/mA. The spin transport signal at high DC current density (2.2$\times 10^{11}\,$A/m$^{2}$) saturates for a 400$\,$nm wide Pt gate, which indicates that even at high current levels a magnetic instability cannot be reached in spite of the high magnetic quality of the films.",2011.07800v1 2020-12-01,Design of an optomagnonic crystal: towards optimal magnon-photon mode matching at the microscale,"We put forward the concept of an optomagnonic crystal: a periodically patterned structure at the microscale based on a magnetic dielectric, which can co-localize magnon and photon modes. The co-localization in small volumes can result in large values of the photon-magnon coupling at the single quanta level, which opens perspectives for quantum information processing and quantum conversion schemes with these systems. We study theoretically a simple geometry consisting of a one-dimensional array of holes with an abrupt defect, considering the ferrimagnet Yttrium Iron Garnet (YIG) as the basis material. We show that both magnon and photon modes can be localized at the defect, and use symmetry arguments to select an optimal pair of modes in order to maximize the coupling. We show that an optomagnonic coupling in the kHz range is achievable in this geometry, and discuss possible optimization routes in order to improve both coupling strengths and optical losses.",2012.00760v2 2020-12-14,Effect of magnon decays on parametrically pumped magnons,"We investigate the influence of magnon decays on the non-equilibrium dynamics of parametrically excited magnons in the magnetic insulator yttrium-iron garnet (YIG). Our investigations are motivated by a recent experiment by Noack et al. [Phys. Status Solidi B 256, 1900121 (2019)] where an enhancement of the spin pumping effect in YIG was observed near the magnetic field strength where magnon decays via confluence of magnons becomes kinematically possible. To explain the experimental findings, we have derived and solved kinetic equations for the non-equilibrium magnon distribution. The effect of magnon decays is taken into account microscopically via collision integrals derived from interaction vertices involving three powers of magnon operators. Our results agree quantitatively with the experimental data.",2012.07870v2 2021-01-08,Compact tunable YIG-based RF resonators,"We report on the design, fabrication, and characterization of compact tunable yttrium iron garnet (YIG) based RF resonators based on $\mu$m-sized spin-wave cavities. Inductive antennas with both ladder and meander configurations were used as transducers between spin waves and RF signals. The excitation of ferromagnetic resonance and standing spin waves in the YIG cavities led to sharp resonances with quality factors up to 350. The observed spectra were in excellent agreement with a model based on the spin-wave dispersion relations in YIG, showing a high magnetic field tunability of about 29 MHz/mT.",2101.02909v4 2021-01-19,Evolution of room-temperature magnon gas toward coherent Bose-Einstein condensate,"The appearance of spontaneous coherence is a fundamental feature of a Bose-Einstein condensate and an essential requirement for possible applications of the condensates for data processing and quantum computing. In the case of a magnon condensate in a magnetic crystal, such computing can be performed even at room temperature. So far, the process of coherence formation in a magnon condensate was inaccessible. We study the evolution of magnon radiation spectra by direct detection of microwave radiation emitted by magnons in a parametrically driven yttrium iron garnet crystal. By using specially shaped bulk samples, we show that the parametrically overpopulated magnon gas evolves to a state, whose coherence is only limited by the natural magnon relaxation into the crystal lattice.",2101.07890v1 2021-02-24,Phase-controlled pathway interferences and switchable fast-slow light in a cavity-magnon polariton system,"We study the phase controlled transmission properties in a compound system consisting of a 3D copper cavity and an yttrium iron garnet (YIG) sphere. By tuning the relative phase of the magnon pumping and cavity probe tones, constructive and destructive interferences occur periodically, which strongly modify both the cavity field transmission spectra and the group delay of light. Moreover, the tunable amplitude ratio between pump-probe tones allows us to further improve the signal absorption or amplification, accompanied by either significantly enhanced optical advance or delay. Both the phase and amplitude-ratio can be used to realize in-situ tunable and switchable fast-slow light. The tunable phase and amplitude-ratio lead to the zero reflection of the transmitted light and an abrupt fast-slow light transition. Our results confirm that direct magnon pumping through the coupling loops provides a versatile route to achieve controllable signal transmission, storage, and communication, which can be further expanded to the quantum regime, realizing coherent-state processing or quantum-limited precise measurements.",2102.12181v1 2021-03-05,Local heat emission due to unidirectional spin-wave heat conveyer effect observed by lock-in thermography,"Lock-in thermography measurements were performed to reveal heat source distribution induced by the unidirectional spin-wave heat conveyer effect (USHCE) of magnetostatic surface spin waves. When the magnetostatic surface spin waves are excited in an yttrium iron garnet slab, the lock-in thermography images show spatially biased sharp and complicated heating patterns, indicating the importance of edge spin-wave dynamics for USHCE. The accessibility to the local heat emission properties allows us to clarify a capability of remote heating realized by USHCE; it can transfer energy for heating even through a macro-scale air gap between two magnetic materials owing to the long-range dipole-dipole coupling.",2103.03694v1 2021-03-19,Remote magnon entanglement between two massive ferrimagnetic spheres via cavity optomagnonics,"Recent studies show that hybrid quantum systems based on magnonics provide a new and promising platform for generating macroscopic quantum states involving a large number of spins. Here we show how to entangle two magnon modes in two massive yttrium-iron-garnet (YIG) spheres using cavity optomagnonics, where magnons couple to high-quality optical whispering gallery modes supported by the YIG sphere. The spheres can be as large as 1 mm in diameter and each sphere contains more than $10^{18}$ spins. The proposal is based on the asymmetry of the Stokes and anti-Stokes sidebands generated by the magnon-induced Brillouin light scattering in cavity optomagnonics. This allows one to utilize the Stokes and anti-Stokes scattering process, respectively, for generating and verifying the entanglement. Our work indicates that cavity optomagnonics could be a promising system for preparing macroscopic quantum states.",2103.10595v2 2021-03-31,Room temperature antiferromagnetic resonance and inverse spin-Hall voltage in canted antiferromagnets,"We study theoretically and experimentally the spin pumping signals induced by the resonance of canted antiferromagnets with Dzyaloshinskii-Moriya interaction and demonstrate that they can generate easily observable inverse spin-Hall voltages. Using a bilayer of hematite/heavy metal as a model system, we measure at room temperature the antiferromagnetic resonance and an associated inverse spin-Hall voltage, as large as in collinear antiferromagnets. As expected for coherent spin-pumping, we observe that the sign of the inverse spin-Hall voltage provides direct information about the mode handedness as deduced by comparing hematite, chromium oxide and the ferrimagnet Yttrium-Iron Garnet. Our results open new means to generate and detect spin-currents at terahertz frequencies by functionalizing antiferromagnets with low damping and canted moments.",2103.16872v1 2021-04-22,Theory for electrical detection of the magnon Hall effect induced by dipolar interactions,"We derive the anomalous Hall contributions arising from dipolar interactions to diffusive spin transport in magnetic insulators. Magnons, the carriers of angular momentum in these systems, are shown to have a non-zero Berry curvature, resulting in a measurable Hall effect. For yttrium iron garnet (YIG) thin films we calculate both the anomalous and magnon spin conductivities. We show that for a magnetic field perpendicular to the film the anomalous Hall conductivity is finite. This results in a non-zero Hall signal, which can be measured experimentally using Permalloy strips arranged like a Hall bar on top of the YIG thin film. We show that electrical detection and injection of spin is possible, by solving the resulting diffusion-relaxation equation for a Hall bar. We predict the experimentally measurable Hall coefficient for a range of temperatures and magnetic field strengths. Most strikingly, we show that there is a sign change of the Hall coefficient associated with increasing the thickness of the film.",2104.11304v1 2021-04-26,Cavity magnomechanical storage and retrieval of quantum states,"We show how a quantum state in a microwave cavity mode can be transferred to and stored in a phononic mode via an intermediate magnon mode in a magnomechanical system. For this we consider a ferrimagnetic yttrium iron garnet (YIG) sphere inserted in a microwave cavity, where the microwave and magnon modes are coupled via a magnetic-dipole interaction and the magnon and phonon modes in the YIG sphere are coupled via magnetostrictive forces. By modulating the cavity and magnon detunings and the driving of the magnon mode in time, a Stimulated Raman Adiabatic Passage (STIRAP)-like coherent transfer becomes possible between the cavity mode and the phonon mode. The phononic mode can be used to store the photonic quantum state for long periods as it possesses lower damping than the photonic and magnon modes. Thus our proposed scheme offers a possibility of using magnomechanical systems as quantum memory for photonic quantum information.",2104.12323v1 2021-05-06,Spin Wave Interference Detection via Inverse Spin Hall Effect,"In this letter, we present experimental data demonstrating spin wave interference detection using spin Hall effect (ISHE). Two coherent spin waves are excited in a yttrium-iron garnet (YIG) waveguide by continuous microwave signals. The initial phase difference between the spin waves is controlled by the external phase shifter. The ISHE voltage is detected at a distance of 2 mm and 4 mm away from the spin wave generating antennae by an attached Pt layer. Experimental data show ISHE voltage oscillation as a function of the phase difference between the two interfering spin waves. This experiment demonstrates an intriguing possibility of using ISHE in spin wave logic circuit converting spin wave phase into an electric signal",2105.02979v1 2021-05-18,Parity-symmetry-breaking quantum phase transition via parametric drive in a cavity magnonic system,"We study the parity-symmetry-breaking quantum phase transition (QPT) in a cavity magnonic system driven by a parametric field, where the magnons in a ferrimagnetic yttrium-iron-garnet sphere strongly couple to a microwave cavity. With appropriate parameters, this cavity magnonic system can exhibit a rich phase diagram, including the parity-symmetric phase, parity-symmetry-broken phase, and bistable phase. When increasing the drive strength beyond a critical threshold, the cavity magnonic system undergoes either a first- or second-order nonequilibrium QPT from the parity-symmetric phase with microscopic excitations to the parity-symmetry-broken phase with macroscopic excitations, depending on the parameters of the system. Our work provides an alternate way to engineer the QPT in a hybrid quantum system containing the spin ensemble in a ferri- or ferromagnetic material with strong exchange interactions.",2105.08371v3 2021-05-22,Ferromagnetic resonance modes in the exchange dominated limit in cylinders of finite length,"We analyze the magnetic mode structure of axially-magnetized, finite-length, nanoscopic cylinders in a regime where the exchange interaction dominates, along with simulations of the mode frequencies of the ferrimagnet yttrium iron garnet. For the bulk modes we find that the frequencies can be represented by an expression given by Herring and Kittel by using wavevector components obtained by fitting the mode patterns emerging from these simulations. In addition to the axial, radial, and azimuthal modes that are present in an infinite cylinder, we find localized ""cap modes"" that are ""trapped"" at the top and bottom cylinder faces by the inhomogeneous dipole field emerging from the ends. Semi-quantitative explanations are given for some of the modes in terms of a one-dimensional Schrodinger equation which is valid in the exchange dominant case. The assignment of the azimuthal mode number is carefully discussed and the frequency splitting of a few pairs of nearly degenerate modes is determined through the beat pattern emerging from them.",2105.10795v1 2021-05-24,Phase-resolved electrical detection of coherently coupled magnonic devices,"We demonstrate the electrical detection of magnon-magnon hybrid dynamics in yttrium iron garnet/permalloy (YIG/Py) thin film bilayer devices. Direct microwave current injection through the conductive Py layer excites the hybrid dynamics consisting of the uniform mode of Py and the first standing spin wave ($n=1$) mode of YIG, which are coupled via interfacial exchange. Both the two hybrid modes, with Py or YIG dominated excitations, can be detected via the spin rectification signals from the conductive Py layer, providing phase resolution of the coupled dynamics. The phase characterization is also applied to a nonlocally excited Py device, revealing the additional phase shift due to the perpendicular Oersted field. Our results provide a device platform for exploring hybrid magnonic dynamics and probing their phases, which are crucial for implementing coherent information processing with magnon excitations",2105.11057v1 2021-06-15,Nonreciprocal high-order sidebands induced by magnon Kerr nonlinearity,"We propose an effective approach for creating robust nonreciprocity of high-order sidebands, including the first-, second- and third-order sidebands, at microwave frequencies. This approach relies on magnon Kerr nonlinearity in a cavity magnonics system composed of two microwave cavities and one yttrium iron garnet (YIG) sphere. By manipulating the driving power applied on YIG and the frequency detuning between the magnon mode in YIG and the driving field, the effective Kerr nonlinearity can be strengthened, thereby inducing strong transmission non-reciprocity. More interestingly, we find the higher the sideband order, the stronger the transmission nonreciprocity marked by the higher isolation ratio in the optimal detuning regime. Such a series of equally-spaced high-order sidebands have potential applications in frequency comb-like precision measurement, besides structuring high-performance on-chip nonreciprocal devices.",2106.09542v1 2021-06-21,A low-loss ferrite circulator as a tunable chiral quantum system,"Ferrite microwave circulators allow one to control the directional flow of microwave signals and noise, and thus play a crucial role in present-day superconducting quantum technology. They are typically viewed as a black-box, and their internal structure is not specified, let alone used as a resource. In this work, we demonstrate a low-loss waveguide circulator constructed with single-crystalline yttrium iron garnet (YIG) in a 3D cavity, and analyze it as a multi-mode hybrid quantum system with coupled photonic and magnonic excitations. We show the coherent coupling of its chiral internal modes with integrated superconducting niobium cavities, and how this enables tunable non-reciprocal interactions between the intra-cavity photons. We also probe experimentally the effective non-Hermitian dynamics of this system and its effective non-reciprocal eigenmodes. The device platform provides a test bed for implementing non-reciprocal interactions in open-system circuit QED.",2106.11283v2 2021-06-24,Control of nonlocal magnon spin transport via magnon drift currents,"Spin transport via magnon diffusion in magnetic insulators is important for a broad range of spin-based phenomena and devices. However, the absence of the magnon equivalent of an electric force is a bottleneck. In this work, we demonstrate the controlled generation of magnon drift currents in yttrium iron garnet/platinum heterostructures. By performing electrical injection and detection of incoherent magnons, we find magnon drift currents that stem from the interfacial Dzyaloshinskii-Moriya interaction. We can further control the magnon drift by the orientation of the magnetic field. The drift current changes the magnon propagation length by up to $\pm$ 6 % relative to diffusion. We generalize the magnonic spin transport theory to include a finite drift velocity resulting from any inversion asymmetric interaction, and obtain results consistent with our experiments.",2106.12946v1 2021-08-06,Magnon transport in $\mathrm{\mathbf{Y_3Fe_5O_{12}}}$/Pt nanostructures with reduced effective magnetization,"For applications making use of magnonic spin currents damping effects, which decrease the spin conductivity, have to be minimized. We here investigate the magnon transport in an yttrium iron garnet thin film with strongly reduced effective magnetization. We show that in a three-terminal device the effective magnon conductivity can be increased by a factor of up to six by a current applied to a modulator electrode, which generates damping compensation above a threshold current. Moreover, we find a linear dependence of this threshold current on the applied magnetic field. We can explain this behavior by the reduced effective magnetization and the associated nearly circular magnetization precession.",2108.03263v1 2021-10-09,Single-shot imaging of ultrafast all-optical magnetization dynamics with a spatio-temporal resolution,"We present a laboratory system for single-shot magneto-optical (MO) imaging of ultrafast magnetization dynamics with high-sensitivity of MO rotation. We create a stack of MO images repeatedly employing a single pair of a pump and defocused probe pulses to induce and visualize MO changes in the sample. Both laser beams are independently wavelength-tunable allowing for a flexible, resonant adjustable two-color pump and probe scheme. To increase the MO contrast the probe beam is spatially filtered. We performed the all-optical switching experiment in Co-doped yttrium iron garnet films (YIG:Co) to demonstrate the capability of the presented method. We determine the spatial-temporal distribution of the effective field of photo-induced anisotropy driving the all-optical switching of the magnetization in YIG:Co film without an external magnetic field. Moreover, using this imaging method, we tracked the process of the laser-induced magnetization precession.",2110.04506v1 2021-10-26,Giant quadratic magneto-optical response of thin YIG films for sensitive magnetometric experiments,"We report on observation of a magneto-optical effect quadratic in magnetization (Cotton-Mouton effect) in 50 nm thick layer of Yttrium-Iron Garnet (YIG). By a combined theoretical and experimental approach, we managed to quantify both linear and quadratic magneto-optical effects. We show that the quadratic magneto-optical signal in the thin YIG film can exceed the linear magneto-optical response, reaching values of 450 urad that are comparable with Heusler alloys or ferromagnetic semiconductors. Furthermore, we demonstrate that a proper choice of experimental conditions, particularly with respect to the wavelength, is crucial for optimization of the quadratic magneto-optical effect for magnetometry measurement.",2110.13679v1 2021-10-31,Thermally induced all-optical ferromagnetic resonance in thin YIG films,"All-optical ferromagnetic resonance (AO-FMR) is a powerful tool for local detection of micromagnetic parameters, such as magnetic anisotropy, Gilbert damping or spin stiffness. In this work we demonstrate that the AO-FMR method can be used in thin films of Yttrium Iron Garnet (YIG) if a metallic capping layer (Au, Pt) is deposited on top of the film. Magnetization precession is triggered by heating of the metallic layer with femtosecond laser pulses. The heating modifies the magneto-crystalline anisotropy of the YIG film and shifts the quasi-equilibrium orientation of magnetization, which results in precessional magnetization dynamics. The laser-induced magnetization precession corresponds to a uniform (Kittel) magnon mode, with the precession frequency determined by the magnetic anisotropy of the material as well as the external magnetic field, and the damping time set by a Gilbert damping parameter. The AO-FMR method thus enables measuring local magnetic properties, with spatial resolution given only by the laser spot size.",2111.00586v1 2021-11-12,Classical analog of qubit logic based on a magnon Bose-Einstein condensate,"We present a classical version of several quantum bit (qubit) functionalities using a two-component magnon Bose-Einstein condensate formed at opposite wavevectors in a room-temperature yttrium-iron-garnet ferrimagnetic film. The macroscopic wavefunctions of these two condensates serve as orthonormal basis states that form a system being a classical counterpart of a single qubit. Solving the Gross-Pitaevskii equation and employing micromagnetic numerical simulations, we first show how to initialize the system in one of the basis states: the application of wavevector-selective parallel parametric pumping allows us to form only a single condensate in one of the two lowest energy states of the magnon gas. Next, by translating the concept of Rabi-oscillations into the wavevector domain, we demonstrate how to manipulate the magnon-BEC system along the polar axis in the Bloch sphere representation. We also discuss the manipulation regarding the azimuthal angle.",2111.06798v2 2021-11-16,Optical sensing of magnons via the magnetoelastic displacement,"We show how to measure a steady-state magnon population in a magnetostatic mode of a ferromagnet or ferrimagnet, such as yttrium iron garnet. We adopt an optomechanical approach and utilize the magnetoelasticity of the ferromagnet. The magnetostrictive force dispersively couples magnons to the deformation displacement of the ferromagnet, which is proportional to the magnon population. By further coupling the mechanical displacement to an optical cavity that is resonantly driven by a weak laser, the magnetostrictively induced displacement can be sensed by measuring the phase quadrature of the optical field. The phase shows an excellent linear dependence on the magnon population for a not very large population, and can thus be used as a `magnometer' to measure the magnon population. We further study the effect of thermal noises, and find a high signal-to-noise ratio even at room temperature. At cryogenic temperatures, the resolution of magnon excitation numbers is essentially limited by the vacuum fluctuations of the phase, which can be significantly improved by using a squeezed light.",2111.08376v2 2021-11-30,Steering light with magnetic textures,"We study the steering of visible light using a combination of magneto-optical effects and the reconfigurability of magnetic domains in Yttrium-Iron Garnet films. The spontaneously formed stripe domains are used as a field-controlled optical grating, allowing for active spatiotemporal control of light. We discuss the basic ideas behind the approach and provide a quantitative description of the field dependence of the obtained light patterns. Finally, we calculate and experimentally verify the efficiency of our magneto-optical grating.",2111.15219v3 2021-12-01,Strong Long-Range Spin-Spin Coupling via a Kerr Magnon Interface,"Strong long-range coupling between distant spins is crucial for spin-based quantum information processing. However, achieving such a strong spin-spin coupling remains challenging. Here we propose to realize a strong coupling between two distant spins via the Kerr effect of magnons in a yttrium-iron-garnet nanosphere. By applying a microwave field on this nanosphere, the Kerr effect of magnons can induce the magnon squeezing, so that the coupling between the spin and the squeezed magnons can be exponentially enhanced. This in turn allows the spin-magnon distance to increase from nano- to micrometer scale. By considering the virtual excitation of the squeezed magnons in the dispersive regime, strong spin-spin coupling mediated by the squeezed magnons can be achieved, and a remote quantum-state transfer, as well as the nonlocal two-qubit ISWAP gate with high fidelity becomes implementable. Our approach offers a feasible scheme to perform quantum information processing among distant spins.",2112.00452v3 2021-12-03,Microwave Amplification in a PT -symmetric-like Cavity Magnomechanical System,"We propose a scheme that can generate tunable magnomechanically induced amplification in a double-cavity parity-time-(PT -) symmetric-like magnomechanical system under a strong control and weak probe field. The system consists of a ferromagnetic-material yttrium iron garnet (YIG) sphere placed in a passive microwave cavity which is connected with another active cavity. We reveal that ideally induced amplification of the microwave probe signal may reach the maximum value 1000000 when cavity-cavity, cavity-magnon and magnomechanical coupling strengths are nonzero simultaneously. The phenomenon might have potential applications in the field of quantum information processing and quantum optical devices. Besides, we also find the phenomena of slow-light propagation. In this case, group speed delay of the light can achieve 0.000035s, which can enhance some nonlinear effect. Moreover, due to the relatively flat dispersion curve, the proposal may be applied to sensitive optical switches, which plays an important role in storing photons and quantum optical chips.",2112.01727v1 2021-12-27,Observation of magnon cross-Kerr effect in cavity magnonics,"When there is a certain amount of field inhomogeneity, the biased ferrimagnetic crystal will exhibit the higher-order magnetostatic (HMS) mode in addition to the uniform-precession Kittel mode. In cavity magnonics, we show both experimentally and theoretically the cross-Kerr-type interaction between the Kittel mode and HMS mode. When the Kittel mode is driven to generate a certain number of excitations, the HMS mode displays a corresponding frequency shift and vice versa. The cross-Kerr effect is caused by an exchange interaction between these two spin-wave modes. Utilizing the cross-Kerr effect, we realize and integrate a multi-mode cavity magnonic system with only one yttrium iron garnet (YIG) sphere. Our results will bring new methods to magnetization dynamics studies and pave a way for novel cavity magnonic devices by including the magnetostatic mode-mode interaction as an operational degree of freedom.",2112.13807v1 2022-01-11,Building instructions for a ferromagnetic axion haloscope,"A ferromagnetic haloscope is a rf spin-magnetometer used for searching Dark Matter in the form of axions. A magnetic material is monitored searching for anomalous magnetization oscillations which can be induced by dark matter axions. To properly devise such instrument one first needs to understand the features of the searched-for signal, namely the effective rf field of dark matter axions $B_a$ acting on electronic spins. Once the properties of $B_a$ are defined, the design and test of the apparatus may start. The optimal sample is a narrow linewidth and high spin-density material such as Yttrium Iron Garnet (YIG), coupled to a microwave cavity with almost matched linewidth to collect the signal. The power in the resonator is collected with an antenna and amplified with a Josephson Parametric amplifier, a quantum-limited device which, however, adds most of the setup noise. The signal is further amplified with low noise HEMT and down-converted for storage with an heterodyne receiver. This work describes how to build such apparatus, with all the experimental details, the main issues one might face, and some solutions.",2201.04081v1 2022-01-26,Nonlinear magnon polaritons,"We experimentally and theoretically demonstrate that nonlinear spin-wave interactions suppress the hybrid magnon-photon quasiparticle or ""magnon polariton"" in microwave spectra of an yttrium iron garnet film detected by an on-chip split-ring resonator. We observe a strong coupling between the Kittel and microwave cavity modes in terms of an avoided crossing as a function of magnetic fields at low microwave input powers, but a complete closing of the gap at high powers. The experimental results are well explained by a theoretical model including the three-magnon decay of the Kittel magnon into spin waves. The gap closure originates from the saturation of the ferromagnetic resonance above the Suhl instability threshold by a coherent back reaction from the spin waves.",2201.10889v2 2022-02-06,Coexistence of coupling-induced transparency and absorption of transmission signals in magnon-mediated photon-photon coupling,"Coexistence of coupling-induced transparency (CIT) and absorption (CIA) of signals in magnon-mediated photon-photon coupling was experimentally determined in a planar hybrid structure consisting of a yttrium iron garnet (YIG) film and three concentric inverted-split-ring resonators (ISRRs). The experimental observation of simultaneous CIT and CIA phenomena was ascribed to magnon-mediated photon-photon coupling between the individually decoupled ISRRs. In order to capture the generic physics of the observed interactions, we constructed an appropriate analytical model based on the balance between the coherent and dissipative multiple-paths interactions, which model precisely reproduced both the CIT and CIA experimentally observed from a single hybrid system. This work, promisingly, can provide guidance for design of efficient, flexible, and well-controllable photon-magnonic devices that are highly in demand for applications to quantum technologies currently under development.",2202.02667v1 2022-04-12,Spin Peltier effect and its length scale in Pt/YIG system at high temperatures,"The temperature and yttrium-iron-garnet (YIG) thickness dependences of the spin Peltier effect (SPE) have been investigated using a Pt/YIG junction system at temperatures ranging from room temperature to the Curie temperature of YIG by the lock-in thermography method. By analyzing the YIG thickness dependence using an exponential decay model, the characteristic length of SPE in YIG is estimated to be 0.9 $\mu$m near room temperature and almost constant even near the Curie temperature. The high-temperature behavior of SPE is clearly different from that of the spin Seebeck effect, providing a clue for microscopically understanding the reciprocal relation between them.",2204.05482v1 2022-05-10,Optimal broad-band frequency conversion via a magnomechanical transducer,"Developing schemes for efficient and broad-band frequency conversion of quantum signals is an ongoing challenge in the field of modern quantum information. Especially the coherent conversion between microwave and optical signals is an important milestone towards long-distance quantum communication. In this work, we propose a two-stage conversion protocol, employing a resonant interaction between magnetic and mechanical excitations as a mediator between microwave and optical photons. Based on estimates for the coupling strengths under optimized conditions for yttrium iron garnet, we predict close to unity conversion efficiency without the requirement of matching cooperativities. We predict a conversion bandwidth in the regions of largest efficiency on the order of magnitude of the coupling strengths which can be further increased at the expense of reduced conversion efficiency.",2205.05088v2 2022-06-02,Bistability in dissipatively coupled cavity magnonics,"Dissipative coupling of resonators arising from their cooperative dampings to a common reservoir induces intriguingly new physics such as energy level attraction. In this study, we report the nonlinear properties in a dissipatively coupled cavity magnonic system. A magnetic material YIG (yttrium iron garnet) is placed at the magnetic field node of a Fabry-Perot-like microwave cavity such that the magnons and cavity photons are dissipatively coupled. Under high power excitation, a nonlinear effect is observed in the transmission spectra, showing bistable behaviors. The observed bistabilities are manifested as clockwise, counterclockwise, and butterfly-like hysteresis loops with different frequency detuning. The experimental results are well explained as a Duffing oscillator dissipatively coupled with a harmonic one and the required trigger condition for bistability could be determined quantitatively by the coupled oscillator model. Our results demonstrate that the magnon damping has been suppressed by the dissipative interaction, which thereby reduces the threshold for conventional magnon Kerr bistability. This work sheds light upon potential applications in developing low power nonlinearity devices, enhanced anharmonicity sensors and for exploring the non-Hermitian physics of cavity magnonics in the nonlinear regime.",2206.01231v1 2022-06-09,Magnetically tunable zero-index metamaterials,"Zero-index metamaterials (ZIMs) feature a uniform electromagnetic mode over a large area in arbitrary shapes, enabling many applications including high-transmission supercouplers with arbitrary shapes, direction-independent phase matching for nonlinear optics, and collective emission of many quantum emitters. However, most ZIMs reported till date are passive, with no method for the dynamic modulation of their electromagnetic properties. Here, we design and fabricate a magnetically tunable ZIM consisting of yttrium iron garnet (YIG) pillars sandwiched between two copper clad laminates in the microwave regime. By harnessing the Cotton-Mouton effect of YIG, the metamaterial was successfully toggled between gapless and bandgap states, leading to a ""phase transition"" between a zero-index phase and a single negative phase of the metamaterial. Using an S-shaped ZIM supercoupler, we experimentally demonstrated a tunable supercoupling state with a low intrinsic loss of 0.95 dB and a high extinction ratio of up to 30.63 dB at 9 GHz. Our work enables dynamic modulation of the electromagnetic characteristics of ZIMs, enabling various applications in tunable linear, nonlinear, quantum and nonreciprocal electromagnetic devices.",2206.04237v1 2022-06-26,Tripartite high-dimensional magnon-photon entanglement in PT -symmetry broken phases of a non-Hermitian hybrid system,"Hybrid systems that combine spin ensembles and superconducting circuits provide a promising platform for implementing quantum information processing. We propose a non-Hermitian magnoncircuit-QED hybrid model consisting of two cavities and an yttrium iron garnet (YIG) sphere placed in one of the cavities. Abundant exceptional points (EPs), parity-time (PT )-symmetry phases and PT -symmetry broken phases are investigated in the parameter space. Tripartite highdimensional entangled states can be generated steadily among modes of the magnon and photons in PT -symmetry broken phases, corresponding to which the stable quantum coherence exists. Results show that the tripartite high-dimensional entangled state is robust against the dissipation of hybrid system, independent of a certain initial state, and insensitive to the fluctuation of magnonphoton coupling. Further, we propose to simulate the hybrid model with an equivalent LCR circuit. This work may provide prospects for realizing multipartite high-dimensional entangled states in the magnon-circuit-QED hybrid system.",2206.12769v1 2022-06-29,Mechanical Bistability in Kerr-modified Cavity Magnomechanics,"Bistable mechanical vibration is observed in a cavity magnomechanical system, which consists of a microwave cavity mode, a magnon mode, and a mechanical vibration mode of a ferrimagnetic yttrium-iron-garnet (YIG) sphere. The bistability manifests itself in both the mechanical frequency and linewidth under a strong microwave drive field, which simultaneously activates three different kinds of nonlinearities, namely, magnetostriction, magnon self-Kerr, and magnon-phonon cross-Kerr nonlinearities. The magnon-phonon cross-Kerr nonlinearity is first predicted and measured in magnomechanics. The system enters a regime where Kerr-type nonlinearities strongly modify the conventional cavity magnomechanics that possesses only a radiation-pressure-like magnomechanical coupling. Three different kinds of nonlinearities are identified and distinguished in the experiment. Our work demonstrates a new mechanism for achieving mechanical bistability by combining magnetostriction and Kerr-type nonlinearities, and indicates that such Kerr-modified cavity magnomechanics provides a unique platform for studying many distinct nonlinearities in a single experiment.",2206.14588v2 2022-06-30,Second order nonlinearity induced multipartite entanglement in a hybrid magnon cavity QED system,"We present a proposal to produce bipartite and tripartite entanglement in a hybrid magnon-cavity QED system. Two macroscopic yttrium iron garnet (YIG) spheres are coupled to a single-mode microwave cavity via magnetic dipole interaction, while the cavity photons are generated via the two photon process induced by a pump field. Using the mean field theory, we show that the second order nonlinearity can result in strong bipartite entanglement between cavity photons and magnonic modes under two conditions, i.e., $\delta_c \delta_{m}=2g^2$ and $\delta_c=-\delta_{m}$. For the later one, we also show the possibility for producing the bipartite entanglement between two magnonic modes and tripartite entanglement among the cavity photons and two magnonic modes. Combining these two conditions, we further derive a third condition, i.e., $\delta_m^2-\phi^2+2g^2=0$, where the tripartite entanglement can be achieved when two magnonic modes have different resonant frequencies.",2206.15326v1 2022-07-07,Experimental Demonstration of High-Performance Physical Reservoir Computing with Nonlinear Interfered Spin Wave Multi-Detection,"Physical reservoir computing, which is a promising method for the implementation of highly efficient artificial intelligence devices, requires a physical system with nonlinearity, fading memory, and the ability to map in high dimensions. Although it is expected that spin wave interference can perform as highly efficient reservoir computing in some micromagnetic simulations, there has been no experimental verification to date. Herein, we demonstrate reservoir computing that utilizes multidetected nonlinear spin wave interference in an yttrium iron garnet single crystal. The subject computing system achieved excellent performance when used for hand-written digit recognition, second-order nonlinear dynamical tasks, and nonlinear autoregressive moving average (NARMA). It is of particular note that normalized mean square errors (NMSEs) for NARMA2 and second-order nonlinear dynamical tasks were 1.81x10-2 and 8.37x10-5, respectively, which are the lowest figures for any experimental physical reservoir so far reported. Said high performance was achieved with higher nonlinearity and the large memory capacity of interfered spin wave multi-detection.",2207.03216v1 2022-08-08,Effect of intense x-ray free-electron laser transient gratings on the magnetic domain structure of Tm:YIG,"Magnetic patterns can be controlled globally using fields or spin polarized currents. In contrast, the local control of the magnetization on the nanometer length scale remains challenging. Here, we demonstrate how magnetic domain patterns in a Tm-doped yttrium iron garnet (Tm:YIG) thin film with perpendicular magnetic anisotropy can be permanently and locally imprinted by high intensity photon pulses of a hard x-ray transient grating (XTG). Micromagnetic simulations provide a qualitative understanding of the observed changes in the orientation of magnetic domains in Tm:YIG and XTG-induced changes. The presented results offer a route for the local manipulation of the magnetic state using hard XTG.",2208.04200v2 2022-09-09,A spinwave Ising machine,"We demonstrate a spin-wave-based time-multiplexed Ising Machine (SWIM), implemented using a 5 $\mu$m thick Yttrium Iron Garnet (YIG) film and off-the-shelf microwave components. The artificial Ising spins consist of 34--68 ns long 3.125 GHz spinwave RF pulses with their phase binarized using a phase-sensitive microwave amplifier. Thanks to the very low spinwave group velocity, the 7 mm long YIG waveguide can host an 8-spin MAX-CUT problem and solve it in less than 4 $\mu$s while consuming only 7 $\mu$J. Using a real-time oscilloscope, we follow the temporal evolution of each spin as the SWIM minimizes its energy and find both uniform and domain-propagation-like switching of the spin state. The SWIM has the potential for substantial further miniaturization, scalability, speed, and reduced power consumption, and may become a versatile platform for commercially feasible optimization problem solvers with high performance.",2209.04291v1 2022-09-21,Interactive Entanglement in Hybrid Opto-magno-mechanics System,"We present a novel cavity opto-magno-mechanical hybrid system to generate entanglements among multiple quantum carriers, such as magnons, mechanical resonators, and cavity photons in both the optical and microwave domains. Two Yttrium iron garnet (YIG) spheres are embedded in two separate microwave cavities which are joined by a communal mechanical resonator. Because the microwave cavities are separate, the ferromagnetic resonate frequencies of two YIG spheres can be tuned independently, as well as the cavity frequencies. We show that entanglement can be achieved with experimentally reachable parameters. The entanglement is robust against environmental thermal noise, owing to the mechanical cooling process achieved by the optical cavity. The maximum entanglement among different carriers is achieved by optimizing the parameters of the system. The individual tunability of the separated cavities allows us to independently control the entanglement properties of different subsystems and establish quantum channels with different entanglement properties in one system. This work could provide promising applications in quantum metrology and quantum information tasks.",2209.10120v2 2022-10-03,Chirality-induced one-way quantum steering between two waveguide-mediated ferrimagnetic microspheres,"One-way quantum steering is of importance for quantum technologies, such as secure quantum teleportation. In this paper, we study the generation of one-way quantum steering between two distant yttrium iron garnet (YIG) microspheres in chiral waveguide electromagonics. We consider that the magnon mode with the Kerr nonlinearity in each YIG sphere is chirally coupled to left- and right-propagating guided photons in the waveguide. We find that quantum steering between the magnon modes is absent with non-chirality but is present merely in the form of one way (i.e., one-way steering) when the chirality occurs. The maximal achievable steering is obviously improved as the chirality degree increases. We further find that when the waveguide's outputs are subjected to continuous homodyne detection, the steering can be considerably enhanced and asymmetric steering with strong entanglement can also be achieved by tuning the chirality. Our study shows that chirality can be explored to effectively realize one-way quantum steering. Compared to other studies on achieving asymmetric steering via controlling intrinsic dissipation, e.g. cavity loss rates, our scheme merely depends on the chirality enabled via positioning the micromagnets in the waveguide and is continuously adjustable and experimentally more feasible.",2210.00710v1 2022-10-27,Quantum-state engineering in cavity magnomechanics formed by two-dimensional magnetic materials,"Cavity magnomechanics has become an ideal platform to explore macroscopic quantum effects. Bringing together magnons, phonons, and photons in a system, it opens many opportunities for quantum technologies. It was conventionally realized by an yttrium iron garnet, which exhibits a parametric magnon-phonon coupling $\hat{m}^\dag\hat{m}(\hat{b}^\dag+\hat{b})$, with $\hat{m}$ and $\hat{b}$ being the magnon and phonon modes. Inspired by the recent realization of two-dimensional (2D) magnets, we propose a cavity magnomechanical system using a 2D magnetic material with both optical and magnetic drivings. It features the coexisting photon-phonon radiation-pressure coupling and quadratic magnon-phonon coupling $\hat{m}^\dag\hat{m}(\hat{b}^\dag+\hat{b})^2$ induced by the magnetostrictive interaction. A stable squeezing of the phonon and bi- and tri-partite entanglements among the three modes are generated in the regimes with a suppressed phonon number. Compared with previous schemes, ours does not require any extra nonlinear interaction and reservoir engineering and is robust against the thermal fluctuation. Enriching the realization of cavity magnomechanics, our system exhibits its superiority in quantum-state engineering due to the versatile interactions enabled by its 2D feature.",2210.15519v2 2022-11-27,Entangled atomic ensemble and an yttrium-iron-garnet sphere in coupled microwave cavities,"We present a scheme to generate distant bipartite and tripartite entanglement between an atomic ensemble and an yttrium iron garnet (YIG) sphere in coupled microwave cavities. We consider an atomic ensemble in a single-mode microwave cavity which is coupled with a second single-mode cavity having a YIG sphere. Our system, therefore, has five excitation modes namely cavity-1 photons, atomic ensemble, cavity-2 photons, a magnon and a phonon mode in the YIG sphere. We show that significant bipartite entanglement exists between indirectly coupled subsystems in the cavities, which is robust against temperature. Moreover, we present suitable parameters for a significant tripartite entanglement of ensemble, magnon, and phonon modes. We also demonstrate the existence of tripartite entanglement between magnon and phonon modes of the YIG sphere with indirectly coupled cavity photons. Interestingly, this distant tripartite entanglement is of the same order as previously found for a single-cavity system. We show that cavity-cavity coupling strength affects both the degree and transfer of quantum entanglement between various subsystems. Therefore, an appropriate cavity-cavity coupling optimizes the distant entanglement by increasing the entanglement strength and its robustness against temperature.",2211.14914v2 2022-12-02,Coherent magnon-induced domain wall motion in a magnetic insulator channel,"Advancing the development of spin-wave devices requires high-quality low-damping magnetic materials where magnon spin currents can propagate efficiently and interact effectively with local magnetic textures. We show that magnetic domain walls (DW) can modulate spin-wave transport in perpendicularly magnetized channels of Bi-doped yttrium-iron-garnet (BiYIG). Conversely, we demonstrate that the magnon spin current can drive DW motion in the BiYIG channel device by means of magnon spin-transfer torque. The DW can be reliably moved over 15 um distances at zero applied magnetic field by a magnon spin current excited by an RF pulse as short as 1 ns. The required energy for driving DW motion is orders of magnitude smaller than those reported for metallic systems. These results facilitate low-switching-energy magnonic devices and circuits where magnetic domains can be efficiently reconfigured by magnon spin currents flowing within magnetic channels.",2212.01408v1 2023-01-22,Magnon bundle in a strongly dissipative magnet,"Hybrid quantum systems based on magnetic platforms have witnessed the birth and fast development of quantum spintronics. Until now, most of the studies rely on magnetic excitations in low-damping magnetic insulators, particularly yttrium iron garnet, while a large class of magnetic systems is ruled out in this interdisciplinary field. Here we propose the generation of a magnon bundle in a hybrid magnet-qubit system, where two or more magnons are emitted simultaneously. By tuning the driving frequency of qubit to match the detuning between magnon and qubit mode, one can effectively generate a magnon bundle via super-Rabi oscillations. In contrast with general wisdom, magnetic dissipation plays an enabling role in generating the magnon bundle, where the relaxation time of magnons determines the typical time delay between two successive magnons. The maximal damping that allows an antibunched magnon bundle can reach the order of 0.1, which may break the monopoly of low-dissipation magnetic insulators in quantum spintronics and enables a large class of magnetic materials for quantum manipulation. Further, our finding may provide a scalable and generic platform to study multi-magnon physics and benefit the design of magnonic networks for quantum information processing.",2301.09095v1 2023-02-14,Switchable Superradiant Phase Transition with Kerr Magnons,"The superradiant phase transition (SPT) has been widely studied in cavity quantum electrodynamics (CQED). However, this SPT is still subject of ongoing debates due to the no-go theorem induced by the so-called ${\bf A}^2$ term (AT). We propose a hybrid quantum system, consisting of a single-mode cavity simultaneously coupled to both a two-level system and yttrium-iron-garnet sphere supporting magnons with Kerr nonlinearity, to restore the SPT against the AT. The Kerr magnons here can effectively introduce an additional strong and tunable AT to counteract the intrinsic AT, via adiabatically eliminating the degrees of freedom of the magnons. We show that the Kerr magnons induced SPT can exist in both cases of ignoring and including the intrinsic AT. Without the intrinsic AT, the critical coupling strength can be dramatically reduced by introducing the Kerr magnons, which greatly relaxes the experimental conditions for observing the SPT. With the intrinsic AT, the forbidden SPT can be recovered with the Kerr magnons in a reversed way. Our work paves a potential way to manipulate the SPT against the AT in hybrid systems combining CQED and nonlinear magnonics.",2302.07163v2 2023-02-24,A Fiber-coupled Scanning Magnetometer with Nitrogen-Vacancy Spins in a Diamond Nanobeam,"Magnetic imaging with nitrogen-vacancy (NV) spins in diamond is becoming an established tool for studying nanoscale physics in condensed matter systems. However, the optical access required for NV spin readout remains an important hurdle for operation in challenging environments such as millikelvin cryostats or biological systems. Here, we demonstrate a scanning-NV sensor consisting of a diamond nanobeam that is optically coupled to a tapered optical fiber. This nanobeam sensor combines a natural scanning-probe geometry with high-efficiency through-fiber optical excitation and readout of the NV spins. We demonstrate through-fiber optically interrogated electron spin resonance and proof-of-principle magnetometry operation by imaging spin waves in an yttrium-iron-garnet thin film. Our scanning-nanobeam sensor can be combined with nanophotonic structuring to control the light-matter interaction strength, and has potential for applications that benefit from all-fiber sensor access such as millikelvin systems.",2302.12536v1 2023-03-02,Unidirectional Microwave Transduction with Chirality Selected Short-Wavelength Magnon Excitations,"Nonreciprocal magnon propagation has recently become a highly potential approach of developing chip-embedded microwave isolators for advanced information processing. However, it is challenging to achieve large nonreciprocity in miniaturized magnetic thin-film devices because of the difficulty of distinguishing propagating surface spin waves along the opposite directions when the film thickness is small. In this work, we experimentally realize unidirectional microwave transduction with sub-micron-wavelength propagating magnons in a yttrium iron garnet (YIG) thin film delay line. We achieve a non-decaying isolation of 30 dB with a broad field-tunable band-pass frequency range up to 14 GHz. The large isolation is due to the selection of chiral magnetostatic surface spin waves with the Oersted field generated from the coplanar waveguide antenna. Increasing the geometry ratio between the antenna width and YIG thickness drastically reduces the nonreciprocity and introduces additional magnon transmission bands. Our results pave the way for on-chip microwave isolation and tunable delay line with short-wavelength magnonic excitations.",2303.00936v1 2023-03-08,Nonreciprocity in Cavity Magnonics at Milikelvin Temperature,"Incorporating cavity magnonics has opened up a new avenue in controlling non-reciprocity. This work examines a yttrium iron garnet sphere coupled to a planar microwave cavity at milli-Kelvin temperature. Non-reciprocal device behavior results from the cooperation of coherent and dissipative coupling between the Kittel mode and a microwave cavity mode. The device's bi-directional transmission was measured and compared to the theory derived previously in the room temperature experiment. Investigations are also conducted into key performance metrics such as isolation, bandwidth, and insertion loss. The findings point to the coexistence of coherent and dissipative interactions at cryogenic conditions, and one can leverage their cooperation to achieve directional isolation. This work foreshadows the application of a cavity magnonic isolator for on-chip readout and signal processing in superconducting circuitry.",2303.04358v1 2023-03-20,Secondary Excitation of Spin-Waves: How Electromagnetic Cross-Talk Impacts on Magnonic Devices,"This work examines the impact of electromagnetic cross-talk in magnonic devices when using inductive spin-wave (SW) transducers. We present detailed electrical SW spectroscopy measurements showing the signal contributions to be considered in magnonic device design. We further provide a rule of thumb estimation for the cross-talk that is responsible for the secondary SW excitation at the output transducer. Simulations and calibrated electrical characterizations underpin this method. Additionally, we visualize the secondary SW excitation via time-resolved MOKE imaging in the forward-volume configuration in a 100nm Yttrium-Iron-Garnet (YIG) system. Our work is a step towards fast yet robust joint electromagentic-micromagnetic magnonic device design.",2303.11303v2 2023-04-04,Full quantum theory for magnon transport in two-sublattice magnetic insulators and magnon junctions,"Magnon, as elementary excitation in magnetic systems, can carry and transfer angular momentum. Due to the absence of Joule heat during magnon transport, researches on magnon transport have gained considerable interests over the past decade. Recently, a full quantum theory has been employed to investigate magnon transport in ferromagnetic insulators (FMIs). However, the most commonly used magnetic insulating material in experiments, yttrium iron garnet (YIG), is a ferrimagnetic insulator (FIMI). Therefore, a full quantum theory for magnon transport in FIMI needs to be established. Here, we propose a Green's function formalism to compute the magnon bulk and interface current in both FIMIs and antiferromagnetic insulators (AFMIs). We investigate the spatial distribution and temperature dependence of magnon current in FIMIs and AFMIs generated by temperature or spin chemical potential step. In AFMIs, magnon currents generated by temperature step in the two sublattices cancel each other out. Subsequently, we numerically simulate the magnon junction effect using the Green's function formalism, and result shows near 100\% magnon junction ratio. This study demonstrates the potential for investigating magnon transport in specific magnonic devices using a full quantum theory.",2304.01930v1 2023-04-26,Critical Cavity-Magnon Polariton Mediated Strong Long-Distance Spin-Spin Coupling,"Strong long-distance spin-spin coupling is desperately demanded for solid-state quantum information processing, but it is still challenged. Here, we propose a hybrid quantum system, consisting of a coplanar waveguide (CPW) resonator weakly coupled to a single nitrogen-vacancy spin in diamond and a yttrium-iron-garnet (YIG) nanosphere holding Kerr magnons, to realize strong long-distance spin-spin coupling. With a strong driving field on magnons, the Kerr effect can squeeze magnons, and thus exponentially enhance the coupling between the CPW resonator and the squeezed magnons, which produces two cavity-magnon polaritons, i.e., the high-frequency polariton (HP) and low-frequency polariton (LP). When the enhanced cavity-magnon coupling approaches to the critical value, the spin is fully decoupled from the HP, while the coupling between the spin and the LP is significantly improved. In the dispersive regime, a strong spin-spin coupling is achieved with accessible parameters, and the coupling distance can be up to $\sim$cm. Our proposal provides a promising way to manipulate remote solid spins and perform quantum information processing in weakly coupled hybrid systems.",2304.13553v2 2023-04-26,Rapid-prototyping of microscopic thermal landscapes in Brillouin light scattering spectroscopy,"Since temperature and its spatial and temporal variations affect a wide range of physical properties of material systems, they can be used to create reconfigurable spatial structures of various types in physical and biological objects. This paper presents an experimental optical setup for creating tunable two-dimensional temperature patterns on a micrometer scale. As an example of its practical application, we have produced temperature-induced magnetization landscapes in ferrimagnetic yttrium iron garnet films and investigated them using micro-focused Brillouin light scattering spectroscopy. It is shown that, due to the temperature dependence of the magnon spectrum, temperature changes can be visualized even for microscale thermal patterns.",2304.13658v2 2023-05-10,Proposal for optomagnonic teleportation and entanglement swapping,"A protocol for realizing discrete-variable quantum teleportation in an optomagnonic system is provided. Using optical pulses, an arbitrary photonic qubit state encoded in orthogonal polarizations is transferred onto the joint state of a pair of magnonic oscillators in two macroscopic yttrium-iron-garnet (YIG) spheres that are placed in an optical interferometer. We further show that optomagnonic entanglement swapping can be realized in an extended dual-interferometer configuration with a joint Bell-state detection. Consequently, magnon Bell states are prepared. We analyze the effect of the residual thermal occupation of the magnon modes on the fidelity in both the teleportation and entanglement swapping protocols.",2305.05889v1 2023-05-15,Quantum interference induced magnon blockade and antibunching in a hybrid quantum system,"In this work, we study the phenomena of quantum interference assisted magnon blockade and magnon antibunching in a weakly interacting hybrid ferromagnet-superconductor system. The magnon excitations in two yttrium iron garnet spheres are indirectly coupled to a superconducting qubit through microwave cavity modes of two mutually perpendicular cavities. We find that when one of the magnon mode is driven by a weak optical field, the destructive interference between more than two distinct transition pathways restricts simultaneous excitation of two magnons. We analyze the magnon correlations in the driven magnon mode for the case of zero detunings as well as finite detunings of the magnon modes and the qubit. We show that the magnon antibunching can be tuned by changing the magnon-qubit coupling strength ratio and the driving detuning. Our work proposes a possible scheme which have significant role in the construction of single magnon generating devices.",2305.08444v1 2023-05-16,Tunable all-optical logic gates based on nonreciprocal topologically protected edge modes,"All-optical logic gates have been studied intensively for their potential to enable broadband, low-loss, and high-speed communication. However, poor tunability has remained a key challenge in this field. In this paper, we propose a Y-shaped structure composed of Yttrium Iron Garnet (YIG) layers that can serve as tunable all-optical logic gates, including, but not limited to, OR, AND, and NOT gates, by applying external magnetic fields to magnetize the YIG layers. Our findings demonstrate that these logic gates are based on topologically protected one-way edge modes, ensuring exceptional robustness against imperfections and nonlocal effects while maintaining extremely high precision. Furthermore, the operating band of the logic gates is shown to be tunable. In addition, we introduce a straightforward and practical method for controlling and switching the logic gates between ""work"", ""skip"", and ""stop"" modes. These findings have important implications for the design of high-performance and precise all-optical integrated circuits.",2305.09270v1 2023-06-07,Gain assisted controllable fast light generation in cavity magnomechanics,"We study the controllable output field generation from a cavity magnomechanical resonator system that consists of two coupled microwave resonators. The first cavity interacts with a ferromagnetic yttrium iron garnet (YIG) sphere providing the magnon-photon coupling. Under passive cavities configuration, the system displays high absorption, prohibiting output transmission even though the dispersive response is anamolous. We replace the second passive cavity with an active one to overcome high absorption, producing an effective gain in the system. We show that the deformation of the YIG sphere retains the anomalous dispersion. Further, tuning the exchange interaction strength between the two resonators leads to the system's effective gain and dispersive response. As a result, the advancement associated with the amplification of the probe pulse can be controlled in the close vicinity of the magnomechanical resonance. Furthermore, we find the existence of an upper bound for the intensity amplification and the advancement of the probe pulse that comes from the stability condition. These findings may find potential applications for controlling light propagation in cavity magnomechanics.",2306.04390v1 2023-07-04,Magnonic Hong-Ou-Mandel Effect,"We carried out numerical simulations of propagation of spin waves (magnons in quantum language) in a yttrium-iron garnet film. The numerical model is based on an original formalism. We demonstrated that a potential barrier for magnons, created by an Oersted field of a dc current flowing through a wire sitting on top of the film, is able to act as an electrically controlled partly transparent mirror for the magnons. We found that the mirror transparency can be set to 50% by properly adjusting the current strength, thus creating a semi-transparent mirror. A strong Hong-Ou-Mandel Effect for single magnons is expected in this configuration. The effect must be seen as two single magnons, launched simultaneously into the film from two transducers located from the opposite sides of the mirror, creating a two-microwave-photon state at the output port of one of the transducers. The probability of seeing those two-photon states at the output port of either transducer must be the same for both transducers.",2307.01547v1 2023-07-06,Realization of the unidirectional amplification in a cavity magnonic system,"We experimentally demonstrate the nonreciprocal microwave amplification using a cavity magnonic system, consisting of a passive cavity (i.e., the split-ring resonator), an active feedback circuit integrated with an amplifier, and a ferromagnetic spin ensemble (i.e., a yttrium-iron-garnet sphere). Combining the amplification provided by the active circuit and the nonreciprocity supported by the cavity magnonics, we implement a nonreciprocal amplifier with the functions of both unidirectional amplification and reverse isolation. The microwave signal is amplified by 11.5 dB in the forward propagating direction and attenuated in the reverse direction by -34.7 dB, giving an isolation ratio of 46.2 dB. Such a unidirectional amplifier can be readily employed in quantum technologies, where the device can simultaneously amplify the weak signal output by the quantum system and isolate the sensitive quantum system from the backscattered external noise. Also, it is promising to explore more functions and applications using a cavity magnonic system with real gain.",2307.02826v2 2023-07-19,Zero-field spin waves in YIG nano-waveguides,"Spin-wave based transmission and processing of information is a promising emerging nano-technology that can help overcome limitations of traditional electronics based on the transfer of electrical charge. Among the most important challenges for this technology is the implementation of spin-wave devices that can operate without the need for an external bias magnetic field. Here we experimentally demonstrate that this can be achieved using sub-micrometer wide spin-wave waveguides fabricated from ultrathin films of low-loss magnetic insulator - Yttrium Iron Garnet (YIG). We show that these waveguides exhibit a highly stable single-domain static magnetic configuration at zero field and support long-range propagation of spin waves with gigahertz frequencies. The experimental results are supported by micromagnetic simulations, which additionally provide information for optimization of zero-field guiding structures. Our findings create the basis for the development of energy-efficient zero-field spin-wave devices and circuits.",2307.09805v1 2023-07-19,Enhanced bipartite entanglement and Gaussian quantum steering of squeezed magnon modes,"We theoretically investigate a scheme to entangle two squeezed magnon modes in a double cavitymagnon system, where both cavities are driven by a two-mode squeezed vacuum microwave field. Each cavity contains an optical parametric amplifier as well as a macroscopic yttrium iron garnet (YIG) sphere placed near the maximum bias magnetic fields such that this leads to the excitation of the relevant magnon mode and its coupling with the corresponding cavity mode. We have obtained optimal parameter regimes for achieving the strong magnon-magnon entanglement and also studied the effectiveness of this scheme towards the mismatch of both the cavity-magnon couplings and decay parameters. We have also explored the entanglement transfer efficiency including Gaussian quantum steering in our proposed system",2307.09846v1 2023-07-31,Gating ferromagnetic resonance of magnetic insulators by superconductors via modulating electric-field radiation,"We predict that ferromagnetic resonance in insulating magnetic film with inplane magnetization radiates electric fields polarized along the magnetization with opposite amplitudes at two sides of the magnetic insulator, which can be modulated strongly by adjacent superconductors. With a single superconductor adjacent to the magnetic insulator this radiated electric field is totally reflected with a $\pi$-phase shift, which thereby vanishes at the superconductor side and causes no influence on the ferromagnetic resonance. When the magnetic insulator is sandwiched by two superconductors, this reflection becomes back and forth, so the electric field exists at both superconductors that drives the Meissner supercurrent, which in turn shifts efficiently the ferromagnetic resonance. We predict an ultrastrong coupling between magnons in the yttrium iron garnet and Cooper pairs in NbN with the frequency shift achieving tens of percent of the bare ferromagnetic resonance.",2307.16472v2 2023-08-15,Global biasing using a Hardware-based artificial Zeeman term in Spinwave Ising Machines,"A spinwave Ising machine (SWIM) is a newly proposed type of time-multiplexed hardware solver for combinatorial optimization that employs feedback coupling and phase sensitive amplification to map an Ising Hamiltonian into phase-binarized propagating spin-wave RF pulses in an Yttrium-Iron-Garnet (YIG) film. In this work, we increase the mathematical complexity of the SWIM by adding a global Zeeman term to a 4-spin MAX-CUT Hamiltonian using a continuous external electrical signal with the same frequency as the spin pulses and phase locked with with one of the two possible states. We are able to induce ferromagnetic ordering in both directions of the spin states despite antiferromagnetic pairwise coupling. Embedding a planar antiferromagnetic spin system in a magnetic field has been proven to increase the complexity of the graph associated to its Hamiltonian and thus this straightforward implementation helps explore higher degrees of complexity in this evolving solver.",2308.07718v1 2023-08-25,Macroscopic distant magnon modes entanglement via a squeezed reservoir,"The generation of robust entanglement in quantum system arrays is a crucial aspect of the realization of efficient quantum information processing. Recently, the field of quantum magnonics has garnered significant attention as a promising platform for advancing in this direction. In our proposed scheme, we utilize a one-dimensional array of coupled cavities, with each cavity housing a single yttrium iron garnet (YIG) sphere coupled to the cavity mode through magnetic dipole interaction. To induce entanglement between YIGs, we employ a local squeezed reservoir, which provides the necessary nonlinearity for entanglement generation. Our results demonstrate the successful generation of bipartite and tripartite entanglement between distant magnon modes, all achieved through a single quantum reservoir. Furthermore, the steady-state entanglement between magnon modes is robust against magnon dissipation rates and environment temperature. Our results may lead to applications of cavity-magnon arrays in quantum information processing and quantum communication systems.",2308.13586v3 2023-08-28,Spin wave mode conversion in an in-plane magnetized microscale T-shaped YIG magnonic splitter,"As one of the fundamental magnonic devices, a magnonic splitter device has been proposed and spin wave propagation in this device has been studied numerically and experimentally. In the present work, we fabricated a T-shaped magnonic splitter with 6 $\mu$m-wide three arms using a 100 nm-thick yttrium iron garnet film and, using time-resolved magneto-optic Kerr microscopy, observed that spin waves split into both, the vertical and the horizontal direction at the junction. Analyzing the results, we found that spin wave modes are converted into another during the splitting process and the splitting efficiency is dominantly dependent on the 1st order of incoming spin waves.",2308.14327v1 2023-08-30,Chiral cavity-magnonic system for the unidirectional emission of a tunable squeezed microwave field,"Unidirectional photon emission is crucial for constructing quantum networks and realizing scalable quantum information processing. In the present work an efficient scheme is developed for the unidirectional emission of a tunable squeezed microwave field. Our scheme is based on a chiral cavity magnonic system, where a magnon mode in a single-crystalline yttrium iron garnet (YIG) sphere is selectively coupled to one of the two degenerate rotating microwave modes in a torus-shaped cavity with the same chirality. With the YIG sphere driven by a two-color Floquet field to induce sidebands in the magnon-photon coupling, we show that the unidirectional emission of a tunable squeezed microwave field can be generated via the assistance of the dissipative magnon mode and a waveguide. Moreover, the direction of the proposed one-way emitter can be controlled on demand by reversing the biased magnetic field. Our work opens up an avenue to create and manipulate one-way nonclassical microwave radiation field and could find potential quantum technological applications.",2308.15826v1 2023-09-08,Programmable Real-Time Magnon Interference in Two Remotely Coupled Magnonic Resonators,"Magnon interference is a signature of coherent magnon interactions for coherent information processing. In this work, we demonstrate programmable real-time magnon interference, with examples of nearly perfect constructive and destructive interference, between two remotely coupled yttrium iron garnet spheres mediated by a coplanar superconducting resonator. Exciting one of the coupled resonators by injecting single- and double-microwave pulse leads to the coherent energy exchange between the remote magnonic resonators and allows us to realize a programmable magnon interference that can define an arbitrary state of coupled magnon oscillation. The demonstration of time-domain coherent control of remotely coupled magnon dynamics offers new avenues for advancing coherent information processing with circuit-integrated hybrid magnonic networks.",2309.04289v1 2023-09-12,Anisotropy-assisted magnon condensation in ferromagnetic thin films,"We theoretically demonstrate that adding an easy-axis magnetic anisotropy facilitates magnon condensation in thin yttrium iron garnet (YIG) films. Dipolar interactions in a quasi-equilibrium state stabilize room-temperature magnon condensation in YIG. Even though the out-of-plane easy-axis anisotropy generally competes with the dipolar interactions, we show that adding such magnetic anisotropy may even assist the generation of the magnon condensate electrically via the spin transfer torque mechanism. We use analytical calculations and micromagnetic simulations to illustrate this effect. Our results may explain the recent experiment on Bi-doped YIG and open a pathway toward applying current-driven magnon condensation in quantum spintronics.",2309.05982v3 2023-09-17,Highly-tunable and strong nonreciprocity in coupled nonlinear cavity magnonics,"Nonreciprocity, which violates Lorentz reciprocity, plays a pivotal role in quantum information processing and networks. Nevertheless, achieving a desired and highly-tunable level of nonreciprocity has proven to be a formidable challenge. Here, we propose a coupled nonlinear cavity magnonic system, consisting of two cavities, a second-order nonlinear element, and a yttrium-iron-garnet sphere for supporting Kerr magnons, to realize this sought-after highly-tunable nonreciprocity. We first derive the critical condition for switching between reciprocity and nonreciprocity with undriven magnons, then we numerically demonstrate that a strong magnonic nonreciprocity can be obtained by breaking the critical condition. When magnons are driven, we show that a strong magnonic nonreciprocity can also be attained within the critical condition. Compared to previous study, the introduced nonlinear element not only relaxes the critical condition to both the weak and strong regimes, but also offers an alternative path to adjust the magnonic nonreciprocity. Our work provides a promising avenue to realize highly-tunable nonreciprocal devices with Kerr magnons.",2309.09245v2 2023-09-28,Engineering Entangled Coherent States of Magnons and Phonons via a Transmon Qubit,"We propose a scheme for generating and controlling entangled coherent states (ECS) of magnons, i.e. the quanta of the collective spin excitations in magnetic systems, or phonons in mechanical resonators. The proposed hybrid circuit architecture comprises a superconducting transmon qubit coupled to a pair of magnonic Yttrium Iron Garnet (YIG) spherical resonators or mechanical beam resonators via flux-mediated interactions. Specifically, the coupling results from the magnetic/mechanical quantum fluctuations modulating the qubit inductor, formed by a superconducting quantum interference device (SQUID). We show that the resulting radiation-pressure interaction of the qubit with each mode, can be employed to generate maximally-entangled states of magnons or phonons. In addition, we numerically demonstrate a protocol for the preparation of magnonic and mechanical Bell states with high fidelity including realistic dissipation mechanisms. Furthermore, we have devised a scheme for reading out the prepared states using standard qubit control and resonator field displacements. Our work demonstrates an alternative platform for quantum information using ECS in hybrid magnonic and mechanical quantum networks.",2309.16514v1 2023-10-13,Magnon spin capacitor,"In this work we show that a magnon spin capacitor can be realized at a junction between two exchange coupled ferromagnets. In this junction, the buildup of magnon spin over the junction is coupled to the difference in magnon chemical potential, realizing the magnon spin analogue of an electrical capacitor. The relation between magnon spin and magnon chemical potential difference directly follows from considering the magnon density-density interaction between the two ferromagnets. We analyse the junction in detail by considering spin injection and detection from normal metal leads, the tunneling current across the junction and magnon decay within the ferromagnet, showing that such a structure realizes a magnon spin capacitor in series with a spin resistor. Choosing yttrium iron garnet as the ferromagnet, we numerically calculate the capacitance, which ranges from picofarad to microfarad, depending on the area of the junction. We therefore conclude that the magnon spin capacitor could directly be of use in applications.",2310.09064v3 2023-11-17,Machine Learning Assisted Characterization of Labyrinthine Pattern Transitions,"We present a comprehensive approach to characterizing labyrinthine structures that often emerge as a final steady state in pattern forming systems. We employ machine learning based pattern recognition techniques to identify the types and locations of topological defects of the local stripe ordering to augment conventional Fourier analysis. A pair distribution function analysis of the topological defects reveals subtle differences between labyrinthine structures which are beyond the conventional characterization methods. We utilize our approach to highlight a clear morphological transition between two zero-field labyrinthine structures in single crystal Bi substituted Yttrium Iron Garnet films. An energy landscape picture is proposed to understand the athermal dynamics that governs the observed morphological transition. Our work demonstrates that machine learning based recognition techniques enable novel studies of rich and complex labyrinthine type structures universal to many pattern formation systems.",2311.10558v1 2023-12-08,Towards an experimental proof of the magnonic Aharonov$-$Casher effect,"Controlling the phase and amplitude of spin waves in magnetic insulators with an electric field opens the way to fast logic circuits with ultra-low power consumption. One way to achieve such control is to manipulate the magnetization of the medium via magnetoelectric effects. In experiments with magnetostatic spin waves in an yttrium iron garnet film, we have obtained the first evidence of a theoretically predicted phenomenon: The change of the spin-wave phase due to the magnonic Aharonov$-$Casher effect$-$the geometric accumulation of the magnon phase as these quasiparticles propagate through an electric field region.",2312.05113v1 2024-01-03,Synthetically enhanced sensitivity using higher-order exceptional point and coherent perfect absorption,"Sensors play a crucial role in advanced apparatuses and it is persistently pursued to improve their sensitivities. Recently, the singularity of a non-Hermitian system, known as the exceptional point (EP), has drawn much attention for this goal. Response of the eigenfrequency shift to a perturbation $\epsilon$ follows the $\epsilon^{1/n}$-dependence at an $n$th-order EP, leading to significantly enhanced sensitivity via a high-order EP. However, due to the requirement of increasingly complicated systems, great difficulties will occur along the path of increasing the EP order to enhance the sensitivity. Here we report that by utilizing the spectral anomaly of the coherent perfect absorption (CPA), the sensitivity at a third-order EP can be further enhanced owing to the cooperative effects of both CPA and EP. We realize this synthetically enhanced sensor using a pseudo-Hermitian cavity magnonic system composed of two yttrium iron garnet spheres and a microwave cavity. The detectable minimum change of the magnetic field reaches $4.2\times10^{-21}$T. It opens a new avenue to design novel sensors using hybrid non-Hermitian quantum systems.",2401.01613v1 2024-01-17,Giant Enhancement of Vacuum Friction in Spinning YIG Nanospheres,"Experimental observations of vacuum radiation and vacuum frictional torque are challenging due to their vanishingly small effects in practical systems. For example, a rotating nanosphere in free space slows down due to friction from vacuum fluctuations with a stopping time around the age of the universe. Here, we show that a spinning yttrium iron garnet (YIG) nanosphere near aluminum or YIG slabs exhibits vacuum radiation eight orders of magnitude larger than other metallic or dielectric spinning nanospheres. We achieve this giant enhancement by exploiting the large near-field magnetic local density of states in YIG systems, which occurs in the low-frequency GHz regime comparable to the rotation frequency. Furthermore, we propose a realistic experimental setup for observing the effects of this large vacuum radiation and frictional torque under experimentally accessible conditions.",2401.09563v1 2024-01-22,Generating magnon Bell states via parity measurement,"We propose a scheme to entangle two magnon modes based on parity measurement. In particular, we consider a system that two yttrium-iron-garnet spheres are coupled to a $V$-type superconducting qutrit through the indirect interactions mediated by cavity modes. An effective parity-measurement operator that can project the two macroscopic spin systems to the desired subspace emerges when the ancillary qutrit is projected to the ground state. Consequently, conventional and multi-excitation magnon Bell states can be generated from any separable states with a nonvanishing population in the desired subspace. The target state can be distilled with a near-to-unit fidelity only by several rounds of measurements and can be stabilized in the presence of decoherence. In addition, a single-shot version of our scheme is obtained by shaping the detuning in the time domain. Our scheme that does not rely on any nonlinear effect brings insight to the entangled-state generation in massive ferrimagnetic materials via quantum measurement.",2401.11684v1 2024-01-22,Theory of momentum-resolved magnon electron energy loss spectra: The case of Yttrium Iron Garnet,"We explore the inelastic spectra of electrons impinging in a magnetic system. The methodology here presented is intended to highlight the charge-dependent interaction of the electron beam in a STEM-EELS experiment, and the local vector potential generated by the magnetic lattice. This interaction shows an intensity $10^{-2}$ smaller than the purely spin interaction, which is taken to be functionally the same as in the inelastic neutron experiment. On the other hand, it shows a strong scattering vector dependence ($\kappa^{-4}$) and a dependence with the relative orientation between the probe wavevector and the local magnetic moments of the solid. We present YIG as a case study due to its high interest by the community.",2401.12302v2 2024-01-30,Entropy production rate and correlations of cavity magnomechanical system,"We present the irreversibility generated by a stationary cavity magnomechanical system composed of a yttrium iron garnet (YIG) sphere with a diameter of a few hundred micrometers inside a microwave cavity. In this system, the magnons, i.e., collective spin excitations in the sphere, are coupled to the cavity photon mode via magnetic dipole interaction and to the phonon mode via magnetostrictive force (optomechanical-like). We employ the quantum phase space formulation of the entropy change to evaluate the steady-state entropy production rate and associated quantum correlation in the system. We find that the behavior of the entropy flow between the cavity photon mode and the phonon mode is determined by the magnon-photon coupling and the cavity photon dissipation rate. Interestingly, the entropy production rate can increase/decrease depending on the strength of the magnon-photon coupling and the detuning parameters. We further show that the amount of correlations between the magnon and phonon modes is linked to the irreversibility generated in the system for small magnon-photon coupling. Our results demonstrate the possibility of exploring irreversibility in driven magnon-based hybrid quantum systems and open a promising route for quantum thermal applications.",2401.16857v1 2024-02-05,Controlling magnon-photon coupling in a planar geometry,"The tunability of magnons enables their interaction with various other quantum excitations, including photons, paving the route for novel hybrid quantum systems. Here, we study magnon-photon coupling using a high-quality factor split-ring resonator and single-crystal yttrium iron garnet (YIG) spheres at room temperature. We investigate the dependence of the coupling strength on the size of the sphere and find that the coupling is stronger for spheres with a larger diameter as predicted by theory. Furthermore, we demonstrate strong magnon-photon coupling by varying the position of the YIG sphere within the resonator. Our experimental results reveal the expected correlation between the coupling strength and the rf magnetic field. These findings demonstrate the control of coherent magnon-photon coupling through the theoretically predicted square-root dependence on the spin density in the ferromagnetic medium and the magnetic dipolar interaction in a planar resonator.",2402.03071v1 2024-02-07,Breaking surface plasmon excitation constraint via surface spin waves,"Surface plasmons in two-dimensional (2D) electron systems have attracted great attention for their promising light-matter applications. However, the excitation of a surface plasmon, in particular, transverse-electric (TE) surface plasmon, remains an outstanding challenge due to the difficulty to conserve energy and momentum simultaneously in the normal 2D materials. Here we show that the TE surface plasmons ranging from gigahertz to terahertz regime can be effectively excited and manipulated in a hybrid dielectric, 2D material and magnet structure. The essential physics is that the surface spin wave supplements an additional freedom of surface plasmon excitation and thus greatly enhances the electric field in the 2D medium. Based on widely-used magnetic materials like yttrium iron garnet (YIG) and manganese difluoride ($\mathrm{MnF}_2$), we further show that the plasmon excitation manifests itself as a measurable dip in the reflection spectrum of the hybrid system while the dip position and the dip depth can be well controlled by the electric gating on the 2D layer and an external magnetic field. Our findings should bridge the fields of low-dimensional physics, plasmonics and spintronics and open a novel route to integrate plasmonic and spintronic devices.",2402.04626v1 2024-02-22,Unraveling the origin of antiferromagnetic coupling at YIG/permalloy interface,"We investigate the structural and electronic origin of antiferromagnetic coupling in the Yttrium iron garnet (YIG) and permalloy (Py) bilayer system at the atomic level. Ferromagnetic Resonance (FMR) reveal unique hybrid modes in samples prepared with surface ion milling, indicative of antiferromagnetic exchange coupling at the YIG/Py interface. Using scanning transmission electron microscopy (STEM), we highlight significant interfacial differences introduced by ion-milling. The observations suggests that the antiferromagnetic coupling in YIG/Py bilayers is predominantly driven by an oxygen-mediated super-exchange coupling mechanism on the tetrahedral Fe terminated YIG surface, which is supported by density functional theory (DFT) calculations. This research provides critical insight into the fundamental mechanisms governing the efficiency of coupling in magnetic bilayers and underscores the pivotal role of oxide surface termination in modulating magnetic interfacial dynamics.",2402.14553v2 2024-03-05,Generation of gigahertz frequency surface acoustic waves in YIG/ZnO heterostructures,"We study surface acoustic waves (SAWs) in yttrium iron garnet (YIG)/zinc oxide (ZnO) heterostructures, comparing the results of a computationally lightweight analytical model with time-resolved micro-focused Brillouin light scattering data. Interdigital transducers (IDTs), with operational frequencies in the gigahertz regime, were fabricated on 50 and 100nm thin films of YIG prior to sputter deposition of 830nm and 890nm films of piezoelectric ZnO. We find good agreement between our analytical model and micro-focused Brillouin light scattering data of the IDT frequency response and SAW group velocity, with clear differentiation between the Rayleigh and Sezawa-like modes. This work paves the way for the study of SAW-spin wave (SW) interactions in low SW damping YIG, with the possibility of a method for future energy-efficient SW excitation.",2403.03006v1 2024-03-23,Spatial Control of Hybridization-Induced Spin-Wave Transmission Stop Band,"Spin-wave (SW) propagation close to the hybridization-induced transmission stop band is investigated within a trapezoid-shaped 200\,nm thick yttrium iron garnet (YIG) film using time-resolved magneto-optic Kerr effect (TR-MOKE) microscopy and broadband spin wave spectroscopy, supported by micromagnetic simulations. The gradual reduction of the effective field within the structure leads to local variations of the SW dispersion relation and results in a SW hybridization at a fixed position in the trapezoid where the propagation vanishes since the SW group velocity approaches zero. By tuning external field or frequency, spatial control of the spatial stop band position and spin-wave propagation is demonstrated and utilized to gain transmission control over several microstrip lines.",2403.15840v1 2024-03-28,Influence of disorder at Insulator-Metal interface on spin transport,"Motivated by experimental work showing enhancement of spin transport between Yttrium Iron Garnet and Platinum by a thin antiferromagnetic insulator between them, we consider spin transport through the interface of a non-magnetic metal and compensated antiferromagnetically ordered insulator and focus on the significance of the interface itself. The spin transport is carried by spin-polarized electrons in the metal and by magnons in the insulator. We compute the spin current in the presence of a spin accumulation in the metal, cause by the spin Hall effect, and a thermal gradient using Fermi's Golden Rule in the presence of interfacial disorder. For a perfectly clean interface, the in-plane momentum is conserved by the electron-magnon scattering events that govern the spin transport through the interface. We calculate how disorder-induced broadening of scattering matrix elements with respect to the in-plane momentum influences the spin current. As a general result, we observe that for many experimental setups, specifically for high temperatures, one should expect a rather small effect of interface disorder on the measured spin current, while for small temperatures there is a significant reduction of a spin current with increasing disorder.",2403.19277v1 2024-04-03,Enhancement of Magnon Transport by Superconductor Meissner Screening,"Recent experiments observe the spin-wave-Meissner-current modes in ferromagnetic insulator-superconductor heterostructures, in which the coherently excited spin waves seemingly do not decay as usual beneath the superconductor strip [Borst et al., Science 382, 430 (2023)]. We interpret this phenomenon by demonstrating that the stray magnetic field emitted by the magnetization dynamics is reflected, focused, and enhanced inside the ferromagnet by the supercurrent induced in the superconductor, such that the group velocity of spin waves is strongly enhanced. Analytical and numerical calculations based on this model predict that the coherent transport of magnons is enhanced by close to 500% for yttrium iron garnet capped by superconducting NbN with a decay length exceeding millimeters. Our finding may augment the performance of magnons in quantum information and quantum transport processing.",2404.02598v1 2022-03-03,Optical Properties of Yttrium Gallium Garnet,"We report measurements of the reflection and transmission spectra of 2% doped Thulium Yttrium Gallium Garnet (Tm:YGG) using variable-angle spectroscopic ellipsometry(VASE) over a wavelength range from 210 to 1680 nm (0.73-5.9 eV). The well-known Tm resonances are identified and separated from the aggregate data, allowing us to calculate the previously unknown frequency dependence of the complex refractive index of the host material. This information is important for many applications of YGG in classical and quantum photonics, including constructing optical cavities, laser-based applications, and quantum information devices. A complete database of the obtained parameters is included in the supplementary information.",2203.01689v1 2023-08-14,Investigation of Phonon Lifetimes and Magnon-Phonon Coupling in YIG/GGG Hybrid Magnonic Systems in the Diffraction Limited Regime,"Quantum memories facilitate the storage and retrieval of quantum information for on-chip and long-distance quantum communications. Thus, they play a critical role in quantum information processing and have diverse applications ranging from aerospace to medical imaging fields. Bulk acoustic wave (BAW) phonons are one of the most attractive candidates for quantum memories because of their long lifetime and high operating frequency. In this work, we establish a modeling approach that can be broadly used to design hybrid magnonic high-overtone bulk acoustic wave resonator (HBAR) structures for high-density, long-lasting quantum memories and efficient quantum transduction devices. We illustrate the approach by investigating a hybrid magnonic system, where BAW phonons are excited in a gadolinium iron garnet (GGG) thick film via coupling with magnons in a patterned yttrium iron garnet (YIG) thin film. We present theoretical and numerical analyses of the diffraction-limited BAW phonon lifetimes, modeshapes, and their coupling strengths to magnons in planar and confocal YIG/GGG HBAR structures. We utilize Fourier beam propagation and Hankel transform eigenvalue problem methods and discuss the effectiveness of the two methods to predict the HBAR phonons. We discuss strategies to improve the phonon lifetimes, since increased lifetimes have direct implications on the storage times of quantum states for quantum memory applications. We find that ultra-high, diffraction-limited, cooperativities and phonon lifetimes on the order of ~10^5 and ~10 milliseconds, respectively, could be achieved using a CHBAR structure with 10mum lateral YIG dimension. Additionally, the confocal HBAR structure will offer more than 100-fold improvement of integration density. A high integration density of on-chip memory or transduction centers is naturally desired for high-density memory or transduction devices.",2308.06896v2 2013-04-23,Quantitative study of the spin Hall magnetoresistance in ferromagnetic insulator/normal metal hybrids,"We experimentally investigate and quantitatively analyze the spin Hall magnetoresistance effect in ferromagnetic insulator/platinum and ferromagnetic insulator/nonferromagnetic metal/platinum hybrid structures. For the ferromagnetic insulator we use either yttrium iron garnet, nickel ferrite or magnetite and for the nonferromagnet copper or gold. The spin Hall magnetoresistance effect is theoretically ascribed to the combined action of spin Hall and inverse spin Hall effect in the platinum metal top layer. It therefore should characteristically depend upon the orientation of the magnetization in the adjacent ferromagnet, and prevail even if an additional, nonferromagnetic metal layer is inserted between Pt and the ferromagnet. Our experimental data corroborate these theoretical conjectures. Using the spin Hall magnetoresistance theory to analyze our data, we extract the spin Hall angle and the spin diffusion length in platinum. For a spin mixing conductance of $4\times10^{14}\;\mathrm{\Omega^{-1}m^{-2}}$ we obtain a spin Hall angle of $0.11\pm0.08$ and a spin diffusion length of $(1.5\pm0.5)\;\mathrm{nm}$ for Pt in our thin film samples.",1304.6151v1 2013-08-17,Thickness and power dependence of the spin-pumping effect in Y3Fe5O12/Pt heterostructures measured by the inverse spin Hall effect,"The dependence of the spin-pumping effect on the yttrium iron garnet (Y3Fe5O12, YIG) thickness detected by the inverse spin Hall effect (ISHE) has been investigated quantitatively. Due to the spin-pumping effect driven by the magnetization precession in the ferrimagnetic insulator YIG film a spin-polarized electron current is injected into the Pt layer. This spin current is transformed into electrical charge current by means of the ISHE. An increase of the ISHE-voltage with increasing film thickness is observed and compared to the theoretically expected behavior. The effective damping parameter of the YIG/Pt samples is found to be enhanced with decreasing YIG film thickness. The investigated samples exhibit a spin mixing conductance of g=(7.43 \pm 0.36) \times 10^{18} m^{-2} and a spin Hall angle of theta_{ISHE} = 0.009 \pm 0.0008. Furthermore, the influence of nonlinear effects on the generated voltage and on the Gilbert damping parameter at high excitation powers are revealed. It is shown that for small YIG film thicknesses a broadening of the linewidth due to nonlinear effects at high excitation powers is suppressed because of a lack of nonlinear multi-magnon scattering channels. We have found that the variation of the spin-pumping efficiency for thick YIG samples exhibiting pronounced nonlinear effects is much smaller than the nonlinear enhancement of the damping.",1308.3787v1 2014-02-15,Measurement of the intrinsic damping constant in individual nanodisks of YIG and YIG{\textbar}Pt,"We report on an experimental study on the spin-waves relaxation rate in two series of nanodisks of diameter $\phi=$300, 500 and 700~nm, patterned out of two systems: a 20~nm thick yttrium iron garnet (YIG) film grown by pulsed laser deposition either bare or covered by 13~nm of Pt. Using a magnetic resonance force microscope, we measure precisely the ferromagnetic resonance linewidth of each individual YIG and YIG{\textbar}Pt nanodisks. We find that the linewidth in the nanostructure is sensibly smaller than the one measured in the extended film. Analysis of the frequency dependence of the spectral linewidth indicates that the improvement is principally due to the suppression of the inhomogeneous part of the broadening due to geometrical confinement, suggesting that only the homogeneous broadening contributes to the linewidth of the nanostructure. For the bare YIG nano-disks, the broadening is associated to a damping constant $\alpha = 4 \cdot 10^{-4}$. A 3 fold increase of the linewidth is observed for the series with Pt cap layer, attributed to the spin pumping effect. The measured enhancement allows to extract the spin mixing conductance found to be $G_{\uparrow \downarrow}= 1.55 \cdot 10^{14}~ \Omega^{-1}\text{m}^{-2}$ for our YIG(20nm){\textbar}Pt interface, thus opening large opportunities for the design of YIG based nanostructures with optimized magnetic losses.",1402.3630v1 2014-08-13,High Cooperativity Cavity QED with Magnons at Microwave Frequencies,"Using a sub-millimetre sized YIG (Yttrium Iron Garnet) sphere mounted in a magnetic field-focusing cavity, we demonstrate an ultra-high cooperativity of $10^5$ between magnon and photon modes at millikelvin temperatures and microwave frequencies. The cavity is designed to act as a magnetic dipole by using a novel multiple-post approach, effectively focusing the cavity magnetic field within the YIG crystal with a filling factor of 3%. Coupling strength (normal-mode splitting) of 2 GHz, (equivalent to 76 cavity linewidths or $0.3$ Hz per spin), is achieved for a bright cavity mode that constitutes about 10% of the photon energy and shows that ultra-strong coupling is possible in spin systems at microwave frequencies. With straight forward optimisations we demonstrate that with that this system has the potential to reach cooperativities of $10^7$, corresponding to a normal mode splitting of 5.2 GHz and a coupling per spin approaching 1 Hz. We also observe a three-mode strong coupling regime between a dark cavity mode and a magnon mode doublet pair, where the photon-magnon and magnon-magnon couplings (normal-mode splittings) are 143 MHz and 12.5 MHz respectively, with HWHM bandwidth of about 0.5 MHz.",1408.2905v3 2014-08-25,Measurements of the exchange stiffness of YIG films by microwave resonance techniques,"Measurements of the exchange stiffness $D$ and the exchange constant $A$ of Yttrium Iron Garnet (YIG) films are presented. The YIG films with thicknesses from 0.9 $\mu$m to 2.6 $\mu$m were investigated with a microwave setup in a wide frequency range from 5 to 40 GHz. The measurements were performed when the external static magnetic field was applied in-plane and out-of-plane. The method of Schreiber and Frait, based on the analysis of the perpendicular standing spin wave (PSSW) mode frequency dependence on the applied out-of-plane magnetic field, was used to obtain the exchange stiffness $D$. This method was modified to avoid the influence of internal magnetic fields during the determination of the exchange stiffness. Furthermore, the method was adapted for in-plane measurements as well. The results obtained using all methods are compared and values of $D$ between $(5.18\pm0.01) \cdot 10^{-17}$T$\cdot$m$^2$ and $(5.34\pm0.02) \cdot 10^{-17}$ T$\cdot$m$^2$ were obtained for different thicknesses. From this the exchange constant was calculated to be $A=(3.65 \pm 0.38)~$pJ/m.",1408.5772v1 2014-09-19,Study of strong photon-magnon coupling in a YIG-film split-ring resonant system,"By using the stripline Microwave Vector Network Analyzer Ferromagnetic Resonance and Pulsed Inductive Microwave Magnetometry spectroscopy techniques, we study a strong coupling regime of magnons to microwave photons in the planar geometry of a lithographically formed split-ring resonator (SRR) loaded by a single-crystal epitaxial yttrium-iron garnet (YIG) film. Strong anti-crossing of the photon modes of SRR and of the magnon modes of the YIG film is observed in the applied-magnetic-field resolved measurements. The coupling strength extracted from the experimental data reaches 9 percent at 3 GHz. Theoretically, we propose an equivalent circuit model of an SRR loaded by a magnetic film. This model follows from the results of our numerical simulations of the microwave field structure of the SRR and of the magnetization dynamics in the YIG film driven by the microwave currents in the SRR. The equivalent circuit model is in good agreement with the experiment. It provides a simple physical explanation of the process of mode anti-crossing. Our findings are important for future applications in microwave quantum photonic devices as well as in magnetically tunable metamaterials exploiting the strong coupling of magnons to microwave photons.",1409.5499v1 2015-02-15,Redefinition of spin Hall magnetoresistance,"Using a multi-conduction-channel model, we redefined the micromechanism of spin Hall magnetoresistance (SMR). Four conduction channels are created by spin accumulation of nonpolarized electron flow at top, bottom, left and right interfaces of the film sample, which corresponds to different resistance states of polarized electron flow with various spin directions relative to the applied magnetic field ($\mathbf{H}$), and brings about the SMR effect finally. The magnetic insulator layer, such as yttrium iron garnet (YIG), is not a requisite for the observation of SMR. Instead, the SMR effect is perfectly realized, with an order of magnitude increase, in the sample with a discontinuous layer of isolated-Co$_2$FeAl (0.3 nm) grains covered by 2.5-nm-thick Pt layer on MgO substrate. The model intuitively gives the typical relationship of SMR effect, i.e. $\rho_{\parallel}\approx\rho_{\bot}>\rho_{T}$, where $\rho_{\bot}$, $\rho_{\parallel}$ and $\rho_{T}$ are longitudinal reisitivities with applied magnetic field ($\mathbf{H}$) direction perpendicular to the current direction out of plane (as Z direction), parallel with and perpendicular to it in plane (as X and Y direction), respectively. Our research reveals that the scattering between polarized and nonpolarized conduction electrons is the origin of SMR, and the intrinsic SMR is not constant when $\mathbf{H}$ direction rotates in XZ plane, which is distinct from that in the reported SMR mechanism.",1502.04288v1 2015-03-20,Control of spin current by a magnetic YIG substrate in NiFe/Al nonlocal spin valves,"We study the effect of a magnetic insulator (Yttrium Iron Garnet - YIG) substrate on the spin transport properties of Ni$_{80}$Fe$_{20}$/Al nonlocal spin valve (NLSV) devices. The NLSV signal on the YIG substrate is about 2 to 3 times lower than that on a non magnetic SiO$_2$ substrate, indicating that a significant fraction of the spin-current is absorbed at the Al/YIG interface. By measuring the NLSV signal for varying injector-to-detector distance and using a three dimensional spin-transport model that takes spin current absorption at the Al/YIG interface into account we obtain an effective spin-mixing conductance $G_{\uparrow\downarrow}\simeq 5 - 8\times 10^{13}~\Omega^{-1}$m$^{-2}$. We also observe a small but clear modulation of the NLSV signal when rotating the YIG magnetization direction with respect to the fixed spin polarization of the spin accumulation in the Al. Spin relaxation due to thermal magnons or roughness of the YIG surface may be responsible for the observed small modulation of the NLSV signal.",1503.06108v1 2015-03-25,Rigorous numerical study of strong microwave photon-magnon coupling in all-dielectric magnetic multilayers,"We demonstrate theoretically a strong local enhancement of the intensity of the in-plane microwave magnetic field in multilayered structures made from a magneto-insulating yttrium iron garnet (YIG) layer sandwiched between two non-magnetic layers with a high dielectric constant matching that of YIG. The enhancement is predicted for the excitation regime when the microwave magnetic field is induced inside the multilayer by the transducer of a stripline Broadband Ferromagnetic Resonance (BFMR) setup. By means of a rigorous numerical solution of the Landau-Lifshitz-Gilbert equation consistently with the Maxwell's equations, we investigate the magnetisation dynamics in the multilayer. We reveal a strong photon-magnon coupling, which manifests itself as anti-crossing of the ferromagnetic resonance (FMR) magnon mode supported by the YIG layer and the electromagnetic resonance mode supported by the whole multilayered structure. The frequency of the magnon mode depends on the external static magnetic field, which in our case is applied tangentially to the multilayer in the direction perpendicular to the microwave magnetic field induced by the stripline of the BFMR setup. The frequency of the electromagnetic mode is independent of the static magnetic field. Consequently, the predicted photon-magnon coupling is sensitive to the applied magnetic field and thus can be used in magnetically tuneable metamaterials based on simultaneously negative permittivity and permeability achievable thanks to the YIG layer. We also suggest that the predicted photon-magnon coupling may find applications in microwave quantum information systems.",1503.07282v1 2015-04-10,Long range pure magnon spin diffusion observed in a non-local spin-Seebeck geometry,"The spin diffusion length for thermally excited magnon spins is measured by utilizing a non-local spin-Seebeck effect measurement. In a bulk single crystal of yttrium iron garnet (YIG) a focused laser thermally excites magnon spins. The spins diffuse laterally and are sampled using a Pt inverse spin Hall effect detector. Thermal transport modeling and temperature dependent measurements demonstrate the absence of spurious temperature gradients beneath the Pt detector and confirm the non-local nature of the experimental geometry. Remarkably, we find that thermally excited magnon spins in YIG travel over 120 $\mu$m at 23 K, indicating that they are robust against inelastic scattering. The spin diffusion length is found to be at least 47 $\mu$m and as high as 73 $\mu$m at 23 K in YIG, while at room temperature it drops to less than 10 $\mu$m. Based on this long spin diffusion length, we envision the development of thermally powered spintronic devices based on electrically insulating, but spin conducting materials.",1504.02808v2 2015-08-19,Independent tuning of electronic properties and induced ferromagnetism in topological insulators with heterostructure approach,"The quantum anomalous Hall effect (QAHE) has been recently demonstrated in Cr- and V-doped three-dimensional topological insulators (TIs) at temperatures below 100 mK. In those materials, the spins of unfilled d-electrons in the transition metal dopants are exchange coupled to develop a long-range ferromagnetic order, which is essential for realizing QAHE. However, the addition of random dopants does not only introduce excess charge carriers that require readjusting the Bi/Sb ratio, but also unavoidably introduces paramagnetic spins that can adversely affect the chiral edge transport in QAHE. In this work, we show a heterostructure approach to independently tune the electronic and magnetic properties of the topological surface states in (BixSb1-x)2Te3 without resorting to random doping of transition metal elements. In heterostructures consisting of a thin (BixSb1-x)2Te3 TI film and yttrium iron garnet (YIG), a high Curie temperature (~ 550 K) magnetic insulator, we find that the TI surface in contact with YIG becomes ferromagnetic via proximity coupling which is revealed by the anomalous Hall effect (AHE). The Curie temperature of the magnetized TI surface ranges from 20 to 150 K but is uncorrelated with the Bi fraction x in (BixSb1-x)2Te3. In contrast, as x is varied, the AHE resistivity scales with the longitudinal resistivity. In this approach, we decouple the electronic properties from the induced ferromagnetism in TI. The independent optimization provides a pathway for realizing QAHE at higher temperatures, which is important for novel spintronic device applications.",1508.04719v1 2015-08-30,Spin-transfer torque based damping control of parametrically excited spin waves in a magnetic insulator,"The damping of spin waves parametrically excited in the magnetic insulator Yttrium Iron Garnet (YIG) is controlled by a dc current passed through an adjacent normal-metal film. The experiment is performed on a macroscopically sized YIG(100nm)/Pt(10nm) bilayer of 4x2 mm^2 lateral dimensions. The spin-wave relaxation frequency is determined via the threshold of the parametric instability measured by Brillouin light scattering (BLS) spectroscopy. The application of a dc current to the Pt film leads to the formation of a spin-polarized electron current normal to the film plane due to the spin Hall effect (SHE). This spin current exerts a spin transfer torque (STT) in the YIG film and, thus, changes the spin-wave damping. Depending on the polarity of the applied dc current with respect to the magnetization direction, the damping can be increased or decreased. The magnitude of its variation is proportional to the applied current. A variation in the relaxation frequency of +/-7.5% is achieved for an applied dc current density of 5*10^10 A/m^2.",1508.07517v1 2016-01-08,Magnons and Phonons Optically Driven Out of Local Equilibrium in a Magnetic Insulator,"Magnons are the energy quanta of fundamental spin excitations, namely spin waves, and they can make a considerable contribution to energy transport in some magnetic materials in a similar manner as lattice vibration waves or phonons. The coupling and possible non-equilibrium between magnons and other energy carriers have been used to explain several recently discovered thermally driven spin transport and energy conversion phenomena. Here, we report experiments in which local non-equilibrium between magnons and phonons in a single crystalline bulk magnetic insulator, Y3Fe5O12 (yttrium iron garnet, or YIG), has been created optically within a focused laser spot and probed directly with the use of micro-Brillouin light scattering (BLS). By analyzing the experimental results with a thermally induced magnon diffusion model, we obtain the magnon diffusion length of thermal magnons. By explicitly establishing non-equilibrium between magnons and phonons, our studies represent an important step toward a quantitative understanding of various spin-heat coupling phenomena.",1601.01982v3 2016-01-21,Detection of spin pumping from YIG by spin-charge conversion in a Au/Ni$_{80}$Fe$_{20}$ spin-valve structure,"Many experiments have shown the detection of spin-currents driven by radio-frequency spin pumping from yttrium iron garnet (YIG), by making use of the inverse spin-Hall effect, which is present in materials with strong spin-orbit coupling, such as Pt. Here we show that it is also possible to directly detect the resonance-driven spin-current using Au/permalloy (Py, Ni$_{80}$Fe$_{20}$) devices, where Py is used as a detector for the spins pumped across the YIG/Au interface. This detection mechanism is equivalent to the spin-current detection in metallic non-local spin-valve devices. By finite element modeling we compare the pumped spin-current from a reference Pt strip with the detected signals from the Au/Py devices. We find that for one series of Au/Py devices the calculated spin pumping signals mostly match the measurements, within 20%, whereas for a second series of devices additional signals are present which are up to a factor 10 higher than the calculated signals from spin pumping. We also identify contributions from thermoelectric effects caused by the resonant (spin-related) and non-resonant heating of the YIG. Thermocouples are used to investigate the presence of these thermal effects and to quantify the magnitude of the Spin-(dependent-)Seebeck effect. Several additional features are observed, which are also discussed.",1601.05605v1 2016-04-29,Spin Seebeck effect through antiferromagnetic NiO,"We report temperature-dependent spin-Seebeck measurements on Pt/YIG bilayers and Pt/NiO/YIG trilayers, where YIG (Yttrium iron garnet, Y$_3$Fe$_5$O$_{12}$) is an insulating ferrimagnet and NiO is an antiferromagnet at low temperatures. The thickness of the NiO layer is varied from 0 to 10 nm. In the Pt/YIG bilayers, the temperature gradient applied to the YIG stimulates dynamic spin injection into the Pt, which generates an inverse spin Hall voltage in the Pt. The presence of a NiO layer dampens the spin injection exponentially with a decay length of $2 \pm 0.6$ nm at 180 K. The decay length increases with temperature and shows a maximum of $5.5 \pm 0.8$ nm at 360 K. The temperature dependence of the amplitude of the spin-Seebeck signal without NiO shows a broad maximum of $6.5 \pm 0.5$ $\mu$V/K at 20 K. In the presence of NiO, the maximum shifts sharply to higher temperatures, likely correlated to the increase in decay length. This implies that NiO is most transparent to magnon propagation near the paramagnet-antiferromagnet transition. We do not see the enhancement in spin current driven into Pt reported in other papers when 1-2 nm NiO layers are sandwiched between Pt and YIG.",1604.08659v2 2016-08-16,Probing current-induced magnetic fields in Au|YIG heterostructure with low-energy muon spectroscopy,"We investigated the depth dependence of current-induced magnetic fields in a bilayer of a normal metal (Au) and a ferrimagnetic insulator (Yttrium Iron Garnet - YIG) by using low energy muon spectroscopy (LE-muSR). This allows us to explore how these fields vary from the Au surface down to the buried Au|YIG interface, which is relevant to study physics like the spin-Hall effect. We observed a maximum shift of 0.4 G in the internal field of muons at the surface of Au film which is in close agreement to the value expected for Oersted fields. As muons are implanted closer to the Au|YIG interface the shift is strongly suppressed, which we attribute to the dipolar fields present at the Au|YIG interface. Combining our measurements with modelling, we show that dipolar fields caused by the finite roughness of the Au|YIG interface consistently explains our observations. Our results, therefore, gauge the limits on the spatial resolution and the sensitivity of LE-muSR to the roughness of the buried magnetic interfaces, a prerequisite for future studies addressing current induced fields caused by the spin-Hall effect.",1608.04584v1 2016-10-28,Insulating nanomagnets driven by spin torque,"Magnetic insulators, such as yttrium iron garnet (Y$_3$Fe$_5$O$_{12}$), are ideal materials for ultra-low power spintronics applications due to their low energy dissipation and efficient spin current generation and transmission. Recently, it has been realized that spin dynamics can be driven very effectively in micrometer-sized Y$_3$Fe$_5$O$_{12}$/Pt heterostructures by spin-Hall effects. We demonstrate here the excitation and detection of spin dynamics in Y$_3$Fe$_5$O$_{12}$/Pt nanowires by spin-torque ferromagnetic resonance. The nanowires defined via electron-beam lithography are fabricated by conventional room temperature sputtering deposition on Gd$_3$Ga$_5$O$_{12 }$ substrates and lift-off. We observe field-like and anti-damping-like torques acting on the magnetization precession, which are due to simultaneous excitation by Oersted fields and spin-Hall torques. The Y$_3$Fe$_5$O$_{12}$/Pt nanowires are thoroughly examined over a wide frequency and power range. We observe a large change in the resonance field at high microwave powers, which is attributed to a decreasing effective magnetization due to microwave absorption. These heating effects are much more pronounced in the investigated nanostructures than in comparable micron-sized samples. By comparing different nanowire widths, the importance of geometrical confinements for magnetization dynamics becomes evident: quantized spin-wave modes across the width of the wires are observed in the spectra. Our results are the first stepping stones toward the realization of integrated magnonic logic devices based on insulators, where nanomagnets play an essential role.",1610.09360v1 2016-12-22,Imaging Magnetization Structure and Dynamics in Ultrathin YIG/Pt Bilayers with High Sensitivity Using the Time-Resolved Longitudinal Spin Seebeck Effect,"We demonstrate an instrument for time-resolved magnetic imaging that is highly sensitive to the in-plane magnetization state and dynamics of thin-film bilayers of yttrium iron garnet (Y3Fe5O12,YIG)/Pt: the time-resolved longitudinal spin Seebeck (TRLSSE) effect microscope. We detect the local, in-plane magnetic orientation within the YIG by focusing a picosecond laser to generate thermally-driven spin current from the YIG into the Pt by the spin Seebeck effect, and then use the inverse spin Hall effect in the Pt to transduce this spin current to an output voltage. To establish the time resolution of TRLSSE, we show that pulsed optical heating of patterned YIG (20 nm)/Pt(6 nm)/Ru (2 nm) wires generates a magnetization-dependent voltage pulse of less than 100 ps. We demonstrate TRLSSE microscopy to image both static magnetic structure and gigahertz-frequency magnetic resonance dynamics with sub-micron spatial resolution and a sensitivity to magnetic orientation below 0.3$^{\circ}/\sqrt{\text{Hz}}$ in ultrathin YIG.",1612.07610v2 2017-01-25,Hybrid nanodiamond-YIG systems for efficient quantum information processing and nanoscale sensing,"The nitrogen-vacancy (NV) center in diamond has been extensively studied in recent years for its remarkable quantum coherence properties that make it an ideal candidate for room temperature quantum computing and quantum sensing schemes. However, these schemes rely on spin-spin dipolar interactions, which require the NV centers to be within a few nanometers from each other while still separately addressable, or to be in close proximity of the diamond surface, where their coherence properties significantly degrade. Here we demonstrate a method for overcoming these limitations using a hybrid yttrium iron garnet (YIG)-nanodiamond quantum system constructed with the help of directed assembly and transfer printing techniques. We show that YIG spin-waves can amplify the oscillating field of a microwave source by more than two orders of magnitude and efficiently mediate its coherent interactions with an NV center ensemble. These results demonstrate that spin-waves in ferromagnets can be used as quantum buses for enhanced, long-range qubit interactions, paving the way to ultra-efficient manipulation and coupling of solid state defects in hybrid quantum networks and sensing devices.",1701.07401v1 2017-02-17,Spin conductance of YIG thin films driven from thermal to subthermal magnons regime by large spin-orbit torque,"We report a study on spin conductance in ultra-thin films of Yttrium Iron Garnet (YIG), where spin transport is provided by propagating spin waves, that are generated and detected by direct and inverse spin Hall effects in two Pt wires deposited on top. While at low current the spin conductance is dominated by transport of thermal magnons, at high current, the spin conductance is dominated by low-damping non-equilibrium magnons thermalized near the spectral bottom by magnon-magnon interaction, with consequent a sensitivity to the applied magnetic field and a longer decay length. This picture is supported by microfocus Brillouin Light Scattering spectroscopy.",1702.05226v3 2017-04-20,Coupled mode theory for the acoustic wave and spin wave interaction in the magphonic crystals: Propagating magnetoelastic waves,"We have investigated co-directional and contra-directional couplings between spin wave and acoustic wave in one-dimensional periodic structure (magphonic crystal). The system consists of two ferromagnetic layers alternating in space. We have taken into consideration materials commonly used in magnonics: yttrium iron garnet, CoFeB, permalloy, and cobalt. The coupled mode theory (CMT) formalism have been successfully implemented to describe magnetoelastic interaction as a periodic perturbation in the magphonic crystal. The results of CMT calculations have been verified by more rigorous simulations by frequency-domain plane wave method and time-domain finite element method. The presented resonant coupling in the magphonic crystal is an active in-space mechanism which spatially transfers energy between propagating spin and acoustic modes, thus creating propagating magnetoelastic wave. We have shown, that CMT analysis of the magnetoelastic coupling is an useful tool to optimize and design a spin wave - acoustic wave transducer based on a magphonic crystals. The effect of spin wave damping has been included to the model to discuss the efficiency of such a device. Our model shows that it is possible to obtain forward conversion of the acoustic wave to the spin wave in case of co-directional coupling and backward conversion in case of contra-directional coupling.",1704.06118v1 2017-06-09,Negative spin Hall magnetoresistance of Pt on the bulk easy-plane antiferromagnet NiO,"We report on spin Hall magnetoresistance (SMR) measurements of Pt Hall bars on the antiferromagnetic NiO(111) single crystal. An SMR with a sign opposite of conventional SMR is observed over a wide range of temperatures as well as magnetic fields stronger than 0.25T. The negative sign of the SMR can be explained by the alignment of magnetic moments being almost perpendicular to the external magnetic field within the easy plane (111) of the antiferromagnet. This correlation of magnetic moment alignment and external magnetic field direction is realized just by the easy-plane nature of the material without the need of any exchange coupling to an additional ferromagnet. The SMR signal strength decreases with increasing temperature, primarily due to the decrease in N\'eel order by including fluctuations. An increasing magnetic field increases the SMR signal strength as there are less domains and the magnetic moments are more strongly manipulated at high magnetic fields. The SMR is saturated at an applied magnetic field of $6$~T resulting in a spin-mixing conductance of $\sim10^{18}~ \Omega^{-1}$m$^{-2}$, which is comparable to that of Pt on insulating ferrimagnets such as yttrium iron garnet. An argon plasma treatment doubles the spin-mixing conductance.",1706.03004v1 2017-06-16,Long-distance spin transport in a disordered magnetic insulator,"Spin transport through magnetic insulators via magnons has recently been explored for a growing variety of magnetic systems with long-range order and well-understood spin excitation spectra. Here we show dramatic effects of spin transport through an amorphous magnetic insulator, which is both magnetically and structurally disordered. We generate and detect spin flow though amorphous yttrium-iron-garnet ($a$-YIG) thin films in a non-local geometry by use of the spin Hall and inverse spin Hall effects in platinum strips separated by 10 or more microns. By comparing non-local spin transport in $a$-YIG on suspended micromachined thermal isolation platforms to the same experiment performed on a bulk substrate, we show strong effects of in-plane thermal gradients on spin transport in the disordered magnetic insulator. The resulting non-local voltage signals are orders of magnitude larger than those seen in crystalline magnetic insulators, with easily measurable spin signals seen even at distances in excess of $100$ microns. In analogy to heat transport, where disordered materials support a range of vibrational excitations that can allow large thermal conductivities, we suggest that efficient spin transport in disordered magnetic systems can occur via a similar spectrum of excitations that relies on strong local exchange interactions and does not require long-range order. This work not only opens a new area for fundamental experimental and theoretical studies of spin transport, but also sets a new direction in materials science for magnonic and spintronic devices.",1706.05196v1 2017-08-04,Quarter-Flux Hofstadter Lattice in Qubit-Compatible Microwave Cavity Array,"Topological- and strongly-correlated- materials are exciting frontiers in condensed matter physics, married prominently in studies of the fractional quantum hall effect [1]. There is an active effort to develop synthetic materials where the microscopic dynamics and ordering arising from the interplay of topology and interaction may be directly explored. In this work we demonstrate a novel architecture for exploration of topological matter constructed from tunnel-coupled, time-reversalbroken microwave cavities that are both low loss and compatible with Josephson junction-mediated interactions [2]. Following our proposed protocol [3] we implement a square lattice Hofstadter model at a quarter flux per plaquette ({\alpha} = 1/4), with time-reversal symmetry broken through the chiral Wannier-orbital of resonators coupled to Yttrium-Iron-Garnet spheres. We demonstrate site-resolved spectroscopy of the lattice, time-resolved dynamics of its edge channels, and a direct measurement of the dispersion of the edge channels. Finally, we demonstrate the flexibility of the approach by erecting a tunnel barrier investigating dynamics across it. With the introduction of Josephson-junctions to mediate interactions between photons, this platform is poised to explore strongly correlated topological quantum science for the first time in a synthetic system.",1708.01651v2 2017-08-06,Electric-field-induced extremely large change in resistance in graphene ferromagnets,"A colossal magnetoresistance ($\sim 100\times10^3\%$) and an extremely large magnetoresistance ($\sim 1\times10^6\%$) have been previously explored in manganite perovskites and Dirac materials, respectively. However, the requirement of an extremely strong magnetic field (and an extremely low temperature) makes them not applicable for realistic devices. In this work, we propose a device that can generate even larger changes in resistance in a zero-magnetic field and at a high temperature. The device is composed of a graphene under two strips of yttrium iron garnet (YIG), where two gate voltages are applied to cancel the heavy charge doping in the YIG-induced half-metallic ferromagnets. By calculations using the Landauer-B\""{u}ttiker formalism, we demonstrate that, when a proper gate voltage is applied on the free ferromagnet, changes in resistance up to $305\times10^6\%$ ($16\times10^3\%$) can be achieved at the liquid helium (nitrogen) temperature and in a zero magnetic field. We attribute such a remarkable effect to a gate-induced full-polarization reversal in the free ferromagnet, which results in a metal-state to insulator-state transition in the device. We also find that, the proposed effect can be realized in devices using other magnetic insulators such as EuO and EuS. Our work should be helpful for developing a realistic switching device that is energy saving and CMOS-technology compatible.",1708.01858v2 2017-09-03,Femtosecond formation dynamics of the spin Seebeck effect revealed by terahertz spectroscopy,"Understanding the transfer of spin angular momentum is essential in modern magnetism research. A model case is the generation of magnons in magnetic insulators by heating an adjacent metal film. Here, we reveal the initial steps of this spin Seebeck effect with <27fs time resolution using terahertz spectroscopy on bilayers of ferrimagnetic yttrium-iron garnet and platinum. Upon exciting the metal with an infrared laser pulse, a spin Seebeck current $j_\textrm{s}$ arises on the same ~100fs time scale on which the metal electrons thermalize. This observation highlights that efficient spin transfer critically relies on carrier multiplication and is driven by conduction electrons scattering off the metal-insulator interface. Analytical modeling shows that the electrons' dynamics are almost instantaneously imprinted onto $j_\textrm{s}$ because their spins have a correlation time of only ~4fs and deflect the ferrimagnetic moments without inertia. Applications in material characterization, interface probing, spin-noise spectroscopy and terahertz spin pumping emerge.",1709.00768v5 2017-09-06,Complex THz and DC inverse spin Hall effect in YIG/Cu$_{1-x}$Ir$_{x}$ bilayers across a wide concentration range,"We measure the inverse spin Hall effect of Cu$_{1-x}$Ir$_{x}$ thin films on yttrium iron garnet over a wide range of Ir concentrations ($0.05 \leqslant x \leqslant 0.7$). Spin currents are triggered through the spin Seebeck effect, either by a DC temperature gradient or by ultrafast optical heating of the metal layer. The spin Hall current is detected by, respectively, electrical contacts or measurement of the emitted THz radiation. With both approaches, we reveal the same Ir concentration dependence that follows a novel complex, non-monotonous behavior as compared to previous studies. For small Ir concentrations a signal minimum is observed, while a pronounced maximum appears near the equiatomic composition. We identify this behavior as originating from the interplay of different spin Hall mechanisms as well as a concentration-dependent variation of the integrated spin current density in Cu$_{1-x}$Ir$_{x}$. The coinciding results obtained for DC and ultrafast stimuli show that the studied material allows for efficient spin-to-charge conversion even on ultrafast timescales, thus enabling a transfer of established spintronic measurement schemes into the terahertz regime.",1709.01890v1 2017-09-19,Criteria for accurate determination of the magnon relaxation length from the nonlocal spin Seebeck effect,"The nonlocal transport of thermally generated magnons not only unveils the underlying mechanism of the spin Seebeck effect, but also allows for the extraction of the magnon relaxation length ($\lambda_m$) in a magnetic material, the average distance over which thermal magnons can propagate. In this study, we experimentally explore in yttrium iron garnet (YIG)/platinum systems much further ranges compared with previous investigations. We observe that the nonlocal SSE signals at long distances ($d$) clearly deviate from a typical exponential decay. Instead, they can be dominated by the nonlocal generation of magnon accumulation as a result of the temperature gradient present away from the heater, and decay geometrically as $1/d^2$. We emphasize the importance of looking only into the exponential regime (i.e., the intermediate distance regime) to extract $\lambda_m$. With this principle, we study $\lambda_m$ as a function of temperature in two YIG films which are 2.7 and 50 $\mu$m in thickness, respectively. We find $\lambda_m$ to be around 15 $\mu$m at room temperature and it increases to 40 $\mu$m at $T=$ 3.5 K. Finite element modeling results agree with experimental studies qualitatively, showing also a geometrical decay beyond the exponential regime. Based on both experimental and modeling results we put forward a general guideline for extracting $\lambda_m$ from the nonlocal spin Seebeck effect.",1709.06321v1 2017-10-07,Dissecting spin-phonon equilibration in ferrimagnetic insulators by ultrafast lattice excitation,"To gain control over magnetic order on ultrafast time scales, a fundamental understanding of the way electron spins interact with the surrounding crystal lattice is required. However, measurement and analysis even of basic collective processes such as spin-phonon equilibration have remained challenging. Here, we directly probe the flow of energy and angular momentum in the model insulating ferrimagnet yttrium iron garnet. Following ultrafast resonant lattice excitation, we observe that magnetic order reduces on distinct time scales of 1 ps and 100 ns. Temperature-dependent measurements, a spin-coupling analysis and simulations show that the two dynamics directly reflect two stages of spin-lattice equilibration. On the 1-ps scale, spins and phonons reach quasi-equilibrium in terms of energy through phonon-induced modulation of the exchange interaction. This mechanism leads to identical demagnetization of the ferrimagnet's two spin-sublattices and a novel ferrimagnetic state of increased temperature yet unchanged total magnetization. Finally, on the much slower, 100-ns scale, the excess of spin angular momentum is released to the crystal lattice, resulting in full equilibrium. Our findings are relevant for all insulating ferrimagnets and indicate that spin manipulation by phonons, including the spin Seebeck effect, can be extended to antiferromagnets and into the terahertz frequency range.",1710.02700v2 2017-11-21,Ionic Modulation of Interfacial Magnetism through Electrostatic Doping in Pt/YIG bilayer heterostructure,"Voltage modulation of yttrium iron garnet (YIG) with compactness, high speed response, energy efficiency and both practical/theoretical siginificances can be widely applied to various YIG based spintronics such as spin Hall, spin pumping, spin Seeback effects. Here we initial an ionic modulation of interfacial magnetism process on YIG/Pt bilayer heterostructures, where the Pt capping would influence the ferromagnetic (FMR) field position significantly, and realize a significant magnetism enhancement in bilayer system. A large voltage induced FMR field shifts of 690 Oe has been achieved in YIG (13 nm)/Pt (3 nm) multilayer heterostructures under a small voltage bias of 4.5 V. The remarkable ME tunability comes from voltage induced extra FM ordering in Pt metal layer near the Pt/YIG interface. The first-principle theoretical simulation reveal that the electrostatic doping induced Pt5+ ions have strong magnetic ordering due to uncompensated d orbit electrons. The large voltage control of FMR change pave a foundation towards novel voltage tunable YIG based spintronics.",1711.07610v3 2017-11-27,Cavity Magnon Polaritons with Lithium Ferrite and 3D Microwave Resonators at milli-Kelvin Temperatures,"Single crystal Lithium Ferrite (LiFe) spheres of sub-mm dimension are examined at mK temperatures, microwave frequencies and variable DC magnetic field, for use in hybrid quantum systems and condensed matter and fundamental physics experiments. Strong coupling regimes of the photon-magnon interaction (cavity magnon polariton quasi-particles) were observed with coupling strength of up to 250 MHz at 9.5 GHz (2.6\%) with magnon linewidths of order 4 MHz (with potential improvement to sub-MHz values). We show that the photon-magnon coupling can be significantly improved and exceed that of the widely used Yttrium Iron Garnet crystal, due to the small unit cell of LiFe, allowing twice more spins per unit volume. Magnon mode softening was observed at low DC fields and combined with the normal Zeeman effect creates magnon spin wave modes that are insensitive to first order order magnetic field fluctuations. This effect is observed in the Kittel mode at 5.5 GHz (and another higher order mode at 6.5 GHz) with a DC magnetic field close to 0.19 Tesla. We show that if the cavity is tuned close to this frequency, the magnon polariton particles exhibit an enhanced range of strong coupling and insensitivity to magnetic field fluctuations with both first order and second order insensitivity to magnetic field as a function of frequency (double magic point clock transition), which could potentially be exploited in cavity QED experiments.",1711.09980v2 2017-12-12,Microwave to optical photon conversion by means of travelling-wave magnons in YIG films,"In this work we study theoretically the efficiency of a travelling magnon based microwave to optical photon converter for applications in Quantum Information (QI). The converter employs an epitaxially grown yttrium iron garnet (YIG) film as the medium for propagation of travelling magnons (spin waves). The conversion is achieved through coupling of magnons to guided optical modes of the film. The total microwave to optical photon conversion efficiency is found to be larger than in a similar process employing a YIG sphere by at least 4 orders of magnitude. By creating an optical resonator of a large length from the film (such that the traveling magnon decays before forming a standing wave over the resonator length) one will be able to further increase the efficiency by several orders of magnitude, potentially reaching a value similar to achieved with opto-mechanical resonators. Also, as a spin-off result, it is shown that isolation of more that 20 dB with direct insertion losses about 5 dBm can be achieved with YIG film based microwave isolators for applications in Quantum Information. An important advantage of the suggested concept of the QI devices based on travelling spin waves is a perfectly planar geometry and a possibility of implementing a the device as a hybrid opto-microwave chip.",1712.04304v2 2017-12-21,Exchange-torque-induced excitation of perpendicular standing spin waves in nanometer-thick YIG films,"Spin waves in ferrimagnetic yttrium iron garnet (YIG) films with ultralow magnetic damping are relevant for magnon-based spintronics and low-power wave-like computing. The excitation frequency of spin waves in YIG is rather low in weak external magnetic fields because of its small saturation magnetization, which limits the potential of YIG films for high-frequency applications. Here, we demonstrate how exchange-coupling to a CoFeB film enables efficient excitation of high-frequency perpendicular standing spin waves (PSSWs) in nanometer-thick (80 nm and 295 nm) YIG films using uniform microwave magnetic fields. In the 295-nm-thick YIG film, we measure intense PSSW modes up to 10th order. Strong hybridization between the PSSW modes and the ferromagnetic resonance mode of CoFeB leads to characteristic anti-crossing behavior in broadband spin-wave spectra. A dynamic exchange torque at the YIG/CoFeB interface explains the excitation of PSSWs. The localized torque originates from exchange coupling between two dissimilar magnetization precessions in the YIG and CoFeB layers. As a consequence, spin waves are emitted from the YIG/CoFeB interface and PSSWs form when their wave vector matches the perpendicular confinement condition. PSSWs are not excited when the exchange coupling between YIG and CoFeB is suppressed by a Ta spacer layer. Micromagnetic simulations confirm the exchange-torque mechanism.",1712.08204v1 2018-01-12,Spin-Hall-Active Platinum Thin Films Grown Via Atomic Layer Deposition,"We study the magnetoresistance of yttrium iron garnet/Pt heterostructures in which the Pt layer was grown via atomic layer deposition (ALD). Magnetotransport experiments in three orthogonal rotation planes reveal the hallmark features of spin Hall magnetoresistance. We estimate the spin transport parameters by comparing the magnitude of the magnetoresistance in samples with different Pt thicknesses. We compare the spin Hall angle and the spin diffusion length of the ALD Pt layers to the values reported for high-quality sputter-deposited Pt films. The spin diffusion length of 1.5nm agrees well with platinum thin films reported in the literature, whereas the spin Hall magnetoresistance $\Delta \rho / \rho = 2.2\times 10^{-5}$ is approximately a factor of 20 smaller compared to that of our sputter-deposited films. Our results demonstrate that ALD allows fabricating spin-Hall-active Pt films of suitable quality for use in spin transport structures. This work provides the basis to establish conformal ALD coatings for arbitrary surface geometries with spin-Hall-active metals and could lead to 3D spintronic devices in the future.",1801.04041v1 2018-08-17,Temperature Dependence of Magnetic Properties of an 18-nm-thick YIG Film Grown by Liquid Phase Epitaxy: Effect of a Pt Overlayer,"Liquid phase epitaxy of an 18 nm thick Yttrium Iron garnet (YIG) film is achieved. Its magnetic properties are investigated in the 100 -- 400 K temperature range, as well as the influence of a 3 nm thick Pt overlayer on them. The saturation magnetization and the magnetocrystalline cubic anisotropy of the bare YIG film behave similarly to bulk YIG. A damping parameter of only a few $10^{-4}$ is measured, together with a low inhomogeneous contribution to the ferromagnetic resonance linewidth. The magnetic relaxation increases upon decreasing temperature, which can be partly ascribed to impurity relaxation mechanisms. While it does not change its cubic anisotropy, the Pt capping strongly affects the uniaxial perpendicular anisotropy of the YIG film, in particular at low temperatures. The interfacial coupling in the YIG/Pt heterostructure is also revealed by an increase of the linewidth, which substantially grows by lowering the temperature.",1808.05785v2 2018-10-05,Magnon contribution to unidirectional spin Hall magnetoresistance,"We develop a model for the magnonic contribution to the unidirectional spin Hall magnetoresistance (USMR) of heavy metal/ferromagnetic insulator bilayer films. We show that diffusive transport of Holstein-Primakoff magnons leads to an accumulation of spin near the bilayer interface, giving rise to a magnoresistance which is not invariant under inversion of the current direction. Unlike the electronic contribution described by Zhang and Vignale [Phys. Rev. B 94, 140411 (2016)], which requires an electrically conductive ferromagnet, the magnonic contribution can occur in ferromagnetic insulators such as yttrium iron garnet. We show that the magnonic USMR is, to leading order, cubic in the spin Hall angle of the heavy metal, as opposed to the linear relation found for the electronic contribution. We estimate that the maximal magnonic USMR in Pt|YIG bilayers is on the order of $10^{-8}$, but may reach values of up to $10^{-5}$ if the magnon gap is suppressed, and can thus become comparable to the electronic contribution in, e.g., Pt|Co. We show that the magnonic USMR at a finite magnon gap may be enhanced by an order of magnitude if the magnon diffusion length is decreased to a specific optimal value that depends on various system parameters.",1810.02610v2 2018-10-16,Spin-wave-induced lateral temperature gradient in a YIG thin film/GGG system excited in an ESR cavity,"Lateral thermal gradient of an yttrium iron garnet (YIG) film under the microwave application in the cavity of the electron spin resonance system (ESR) was measured at room temperature by fabricating a Cu/Sb thermocouple onto it. To date, thermal transport in YIG films caused by the Damon-Eshbach mode (DEM) - the unidirectional spin-wave heat conveyer effect - was demonstrated only by the excitation using coplanar waveguides. Here we show that effect exists even under YIG excitation using the ESR cavity - tool often employed to realize spin pumping. The temperature difference observed around the ferromagnetic resonance (FMR) field under the 4 mW microwave power peaked at 13 mK. The observed thermoelectric signal indicates the imbalance of the population between the DEMs that propagate near the top and bottom surfaces of the YIG film. We attribute the DEM population imbalance to the different magnetic damping near the top and bottom YIG surfaces. Additionally, the spin wave dynamics of the system were investigated using the micromagnetic simulations. The micromagnetic simulations confirmed the existence of the DEM imbalance in the system with the increased Gilbert damping at one of the YIG interfaces. The reported results are indispensable for the quantitative estimation of the electromotive force in the spin-charge conversion experiments using ESR cavities.",1810.06875v1 2018-10-16,Spin-torque oscillation in a magnetic insulator probed by a single-spin sensor,"Coherent, self-sustained oscillation of magnetization in spin-torque oscillators (STOs) is a promising source for on-chip, nanoscale generation of microwave magnetic fields. Such fields could be used for local excitation of spin-wave resonances, control of spin qubits, and studies of paramagnetic resonance. However, local characterization of fields emitted by an STO has remained an outstanding challenge. Here, we use the spin of a single nitrogen-vacancy (NV) defect in diamond to probe the magnetic fields generated by an STO in a microbar of ferromagnetic insulator yttrium-iron-garnet (YIG). The combined spectral resolution and sensitivity of the NV sensor allows us to resolve multiple spin-wave modes and characterize their damping. When damping is decreased sufficiently via spin injection, the modes auto-oscillate, as indicated by a strongly reduced linewidth, a diverging magnetic power spectral density, and synchronization of the STO frequency to an external microwave source. These results open the way for quantitative, nanoscale mapping of the microwave signals generated by STOs, as well as harnessing STOs as local probes of mesoscopic spin systems.",1810.07306v1 2018-10-28,Magnetic Resonance in Defect Spins mediated by Spin Waves,"In search of two level quantum systems that implement a qubit, the nitrogen-vacancy (NV) center in diamond has been intensively studied for years. Despite favorable properties such as remarkable defect spin coherence times, the addressability of NV centers raises some technical issues. The coupling of a single NV center to an external driving field is limited to short distances, since an efficient coupling requires the NV to be separated by only a few microns away from the source. As a way to overcome this problem, an enhancement of coherent coupling between NV centers and a microwave field has recently been experimentally demonstrated using spin waves propagating in an adjacent yttrium iron garnet (YIG) film [1]. In this paper we analyze the optically detected magnetic resonance spectra that arise when an NV center is placed on top of a YIG film for a geometry similar to the one in the experiment. We analytically calculate the oscillating magnetic field of the spin wave on top of the YIG surface to determine the coupling of spin waves to the NV center. We compare this coupling to the case when the spin waves are absent and the NV center is driven only with the antenna field and show that the calculated coupling enhancement is dramatic and agrees well with the one obtained in the recent experiment.",1810.11841v1 2018-11-29,"Effect of YIG Nanoparticle Size and Clustering in Proximity-Induced Magnetism in Graphene/YIG Composite Probed with Magnetoimpedance Sensors: Towards Improved Functionality, Sensitivity and Proximity Detection","Proximity-induced magnetism (PIM) in graphene (Gr) adjacent to magnetic specimen has raised great fundamental interests. The subject is under debate and yet no application is proposed and granted. In this paper, toward accomplishment of fundamental facts, we first explore the effect of particle size and clustering in the PIM in Gr nanoplates (GNPs)/yttrium iron garnet (YIG) magnetic nanoparticle (MNP) composite. Microscopic analyzes suggest that fine MNPs distributed uniformly on the GNPs have higher saturation magnetization due to the PIM in Gr. We propose that such magnetic plates can thus be used to shield the stray field generated on the surface of magnetic sensors and play a role as a magnetic lens to prevent the field emanating outside the body of magnetic specimen. The GNPs/YIG composites are coated on a magnetic ribbon and proposed for application in magneto-impedance (MI) sensors. We show that such planar magnetic flakes enhance the MI response against the external applied magnetic field significantly. The suggested application can be furthermore developed toward bio-sensing and magnetic shielding in different magnetic sensors and devices.",1811.12317v2 2018-11-29,"High Saturation Magnetization, Low Coercivity and Fine YIG Nanoparticles Prepared by Modifying Co-Precipitation Method","Nanoparticles with their specific properties newly have drawn a great deal of attention of researchers [1-3]Yttrium iron Garnet magnetic nanoparticles (YIG-NPs) are promising materials with novel applications in microwave, spintronics, magnonics, and magneto-optical devices. However, achieving stable and remarkable magnetic YIG-NPs has been remaining as a great challenge. In this paper, synthesized YIG-NPs by modifying co-precipitation (MCP) method is reported. Structural and magnetic properties of final products are compared to those of the materials prepared by citrate-nitrate (CN) method. Smaller crystals and particle size have been found by MCP method comparing to that of synthesized by CN method. Using a relatively low annealing temperatures for both sets of samples (~700 {\deg}C), the final YIG samples prepared by MCP method show more structural purity than those made by CN method. Higher saturation magnetization (Ms) and lower coercivity (Hc) are observed in MCP YIG sample (23.23 emu/g 36 and 30.1 Oe) than the CN prepared YIG sample (16.43 emu/g and 44.95 Oe). The Curie temperature is measured to be 569 {\deg}C for the MCP YIG sample determined from set of Ms measurement at different temperatures ranging from 80-600 K. These findings lead to significant improvement in quality of synthesized (synthetic methods) of YIG-NPs.",1811.12511v1 2018-12-02,Direct detection of induced magnetic moment and efficient spin-to-charge conversion in graphene/ferromagnetic structures,"This article shows that the spin-to-charge current conversion in single-layer graphene (SLG) by means of the inverse Rashba-Edelstein effect (IREE) is made possible with the integration of this remarkable 2D-material with the unique ferrimagnetic insulator yttrium iron garnet (YIG = $Y_{3}Fe_{5}O_{12}$) as well as with the ferromagnetic metal permalloy (Py = $Ni_{81}Sb_{19}$). By means of X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) techniques, we show that the carbon atoms of the SLG acquires an induced magnetic moment due to the proximity effect with the magnetic layer. The spin currents are generated in the magnetic layer by spin pumping from microwave driven ferromagnetic resonance and are detected by a dc voltage along the graphene layer, at room temperature. The spin-to-charge current conversion, occurring at the graphene layer, is explained by the extrinsic spin-orbit interaction (SOI) induced by the proximity effect with the ferromagnetic layer. The results obtained for the SLG/YIG and SLG/Py systems confirm very similar values for the IREE parameter, which are larger than the values reported in previous studies for SLG. We also report systematic investigations of the electronic and magnetic properties of the SLG/YIG by means of scanning tunneling microscopy (STM).",1812.00455v1 2019-01-07,Abnormal anti-crossing effect in photon-magnon coupling,"We report the experimental demonstration of an abnormal, opposite anti-crossing effect in a photon-magnon-coupled system that consists of an Yttrium Iron Garnet film and an inverted pattern of split-ring resonator structure (noted as ISRR) in a planar geometry. It is found that the normal shape of anti-crossing dispersion typically observed in photon-magnon coupling is changed to its opposite anti-crossing shape just by changing the position/orientation of the ISRR's split gap with respect to the microstrip line axis along which ac microwave currents are applied. Characteristic features of the opposite anti-crossing dispersion and its linewidth evolution are analyzed with the help of analytical derivations based on electromagnetic interactions. The observed opposite anti-crossing dispersion is ascribed to the compensation of both intrinsic damping and coupling-induced damping in the magnon modes. This compensation is achievable by controlling the relative strength and phase of oscillating magnetic fields generated from the ISRR's split gap and the microstrip feeding line. The position/orientation of an ISRR's split gap provides a robust means of controlling the dispersion shape of anti-crossing and its damping in a photon-magnon coupling, thereby offering more opportunity for advanced designs of microwave devices.",1901.01729v2 2019-02-18,Coherent control of magnon radiative damping with local photon states,"The collective excitation of ordered spins, known as spin waves or magnons, can in principle radiate by emitting travelling photons to an open system when decaying to the ground state. However, in contrast to the electric dipoles, magnetic dipoles contributed by magnons are more isolated from electromagnetic environment with negligible radiation in the vacuum, limiting their application in coherent communication by photons. Recently, strong interaction between cavity standing-wave photons and magnons has been reported, indicating the possible manipulation of magnon radiation via tailoring photon states. Here, with loading an yttrium iron garnet sphere in a one-dimensional circular waveguide cavity in the presence of both travelling and standing photon modes, we demonstrate an efficient photon emissions from magnon and a significant magnon radiative damping with radiation rate found to be proportional to the local density of states (LDOS) of photon. By modulating the LDOS including its magnitude and/or polarization, we can flexibly tune the photon emission and magnon radiative damping on demand. Our findings provide a general way in manipulating photon emission from magnon radiation for harnessing energy and angular momentum generation, transfer and storage modulated by magnon in the cavity and waveguide electrodynamics.",1902.06795v2 2019-03-02,Excitation of unidirectional exchange spin waves by a nanoscale magnetic grating,"Magnon spintronics is a prosperous field that promises beyond-CMOS technology based on elementary excitations of the magnetic order that act as information carriers for future computational architectures. Unidirectional propagation of spin waves is key to the realization of magnonic logic devices. However, previous efforts to enhance the Damon-Eshbach-type nonreciprocity did not realize (let alone control) purely unidirectional propagation. Here we experimentally demonstrate excitations of unidirectional exchange spin waves by a nanoscale magnetic grating consisting of Co nanowires fabricated on an ultrathin yttrium iron garnet film. We explain and model the nearly perfect unidirectional excitation by the chirality of the magneto-dipolar interactions between the Kittel mode of the nanowires and the exchange spin waves of the film. Reversal of the magnetic configurations of film and nanowire array from parallel to antiparallel changes the direction of the excited spin waves. Our results raise the prospect of a chiral magnonic logic without the need for fragile surface states.",1903.00638v1 2019-03-10,Magnons at low excitations: Observation of incoherent coupling to a bath of two-level-systems,"Collective magnetic excitation modes, magnons, can be coherently coupled to microwave photons in the single excitation limit. This allows for access to quantum properties of magnons and opens up a range of applications in quantum information processing, with the intrinsic magnon linewidth representing the coherence time of a quantum resonator. Our measurement system consists of a yttrium iron garnet (YIG) sphere and a three-dimensional (3D) microwave cavity at temperatures and excitation powers typical for superconducting quantum circuit experiments. We perform spectroscopic measurements to determine the limiting factor of magnon coherence at these experimental conditions. Using the input-output formalism, we extract the magnon linewidth $\kappa_\mathrm{m}$. We attribute the limitations of the coherence time at lowest temperatures and excitation powers to incoherent losses into a bath of near-resonance two-level systems (TLSs), a generic loss mechanism known from superconducting circuits under these experimental conditions. We find that the TLSs saturate when increasing the excitation power from quantum excitation to multi-photon excitation and their contribution to the linewidth vanishes. At higher temperatures, the TLSs saturate thermally and the magnon linewidth decreases as well.",1903.03981v3 2019-05-29,A magnonic directional coupler for integrated magnonic half-adders,"Magnons, the quanta of spin waves, could be used to encode information in beyond-Moore computing applications, and magnonic device components, including logic gates, transistors, and units for non-Boolean computing, have already been developed. Magnonic directional couplers, which can function as circuit building blocks, have also been explored, but have been impractical because of their millimetre dimensions and multi-mode spectra. Here, we report a magnonic directional coupler based on yttrium iron garnet single-mode waveguides of 350 nm width. We use the amplitude of a spin-wave to encode information and to guide it to one of the two outputs of the coupler depending on the signal magnitude, frequency, and the applied magnetic field. Using micromagnetic simulations, we also propose an integrated magnonic half-adder that consists of two directional couplers and processes all information within the magnon domain with aJ energy consumption.",1905.12353v3 2019-12-01,Differences in the magnon diffusion length for electrically and thermally driven magnon currents in Y$_3$Fe$_5$O$_{12}$,"Recent demonstration of efficient transport and manipulation of spin information by magnon currents have opened exciting prospects for processing information in devices. Magnon currents can be driven both electrically and thermally, even in magnetic insulators, by applying charge currents in an adjacent metal layer. Earlier reports in thin yttrium iron garnet (YIG) films suggested that the diffusion length of magnons is independent on the biasing method, but different values were obtained in thicker films. Here, we study the magnon diffusion length for electrically and thermally driven magnon currents in the linear regime in a 2-$\mu$m-thick YIG film as a function of temperature and magnetic field. Our results show a decrease of the magnon diffusion length with magnetic field for both biasing methods and at all temperatures from 5 to 300 K, indicating that sub-thermal magnons dominate the long-range transport. Moreover, we demonstrate that the value of the magnon diffusion length depends on the driving mechanism, suggesting that different non-equilibrium magnon distributions are biased for each method. Finally, we demonstrate that the magnon diffusion length for thermally driven magnon currents is independent of the YIG thickness and material growth conditions, confirming that this quantity is an intrinsic parameter of YIG.",1912.00490v2 2020-01-31,Temperature dependence of spin pinning and spin-wave dispersion in nanoscopic ferromagnetic waveguides,"The field of magnonics attracts significant attention due to the possibility of utilizing information coded into the spin-wave phase or amplitude to perform computation operations on the nanoscale. Recently, spin waves were investigated in Yttrium Iron Garnet (YIG) waveguides with widths ranging down to 50 nm and aspect ratios thickness over width approaching unity. A critical width was found, below which the exchange interaction suppresses the dipolar pinning phenomenon and the system becomes unpinned. Here we continue these investigations and analyse the pinning phenomenon and spin-wave dispersions as a function of temperature, thickness and material of choice. Higher order modes, the influence of a finite wavevector along the waveguide and the impact of the pinning phenomenon on the spin-wave lifetime are discussed as well as the influence of a trapezoidal cross section and edge roughness of the waveguides. The presented results are of particular interest for potential applications in magnonic devices and the incipient field of quantum magnonics at cryogenic temperatures.",2002.00003v1 2020-02-18,Mapping the intrinsic photocurrent streamlines through micromagnetic heterostructure devices,"Like air flowing over a wing, optimizing the flow of electronic charge is essential to the operation of nanoscale devices. Unfortunately, the delicate interplay of charge, spin, and heat in complex devices has precluded detailed imaging of charge flow. Here, we report on the visualization of intrinsic charge current streamlines through yttrium iron garnet micromagnetic heterostructures. Scanning photovoltage microscopy of precisely designed devices leads to striking spatial patterns, with prominent photovoltage features emerging in corners and narrow constrictions. These patterns, which evolve continuously with rotation of an external magnetic field, enable rich spatial mapping of fluid-like flow. Taking inspiration from aerodynamic Clark Y airfoils, we engineer micromagnetic wing shaped devices, called electrofoils, which allow us to precisely contort, compress and decompress flowlines of electronic charge.120 (39) e2221815120",2002.07902v3 2020-02-19,Manipulation of coupling and magnon transport in magnetic metal-insulator hybrid structures,"Ferromagnetic metals and insulators are widely used for generation, control and detection of magnon spin signals. Most magnonic structures are based primarily on either magnetic insulators or ferromagnetic metals, while heterostructures integrating both of them are less explored. Here, by introducing a Pt/yttrium iron garnet (YIG)/permalloy (Py) hybrid structure grown on Si substrate, we studied the magnetic coupling and magnon transmission across the interface of the two magnetic layers. We found that within this structure, Py and YIG exhibit an antiferromagnetic coupling field as strong as 150 mT, as evidenced by both the vibrating-sample magnetometry and polarized neutron reflectometry measurements. By controlling individual layer thicknesses and external fields, we realize parallel and antiparallel magnetization configurations, which are further utilized to control the magnon current transmission. We show that a magnon spin valve with an ON/OFF ratio of ~130% can be realized out of this multilayer structure at room temperature through both spin pumping and spin Seebeck effect experiments. Thanks to the efficient control of magnon current and the compatibility with Si technology, the Pt/YIG/Py hybrid structure could potentially find applications in magnon-based logic and memory devices.",2002.08266v1 2020-02-27,High-temperature Anomalous Hall Effect in Transition Metal Dichalcogenide-Ferromagnetic Insulator Heterostructure,"Integration of transition metal dichalcogenides (TMDs) on ferromagnetic materials (FM) may yield fascinating physics and promise for electronics and spintronic applications. In this work, high-temperature anomalous Hall effect (AHE) in the TMD ZrTe2 thin film using heterostructure approach by depositing it on ferrimagnetic insulator YIG (Y3Fe5O12, yttrium iron garnet) is demonstrated. In this heterostructure, significant anomalous Hall effect can be observed at temperatures up to at least 400 K, which is a record high temperature for the observation of AHE in TMDs, and the large RAHE is more than one order of magnitude larger than those previously reported value in topological insulators or TMDs based heterostructures. The magnetization of interfacial reaction-induced ZrO2 between YIG and ZrTe2 is believed to play a crucial role for the induced high-temperature anomalous Hall effect in the ZrTe2. These results reveal a promising system for the room-temperature spintronic device applications, and it may also open a new avenue toward introducing magnetism to TMDs and exploring the quantum AHE at higher temperatures considering the prediction of nontrivial topology in ZrTe2.",2002.12068v1 2020-03-23,Physical realization of complex dynamical pattern formation in magnetic active feedback rings,"We report the clean experimental realization of cubic-quintic complex Ginzburg-Landau physics in a single driven, damped system. Four numerically predicted categories of complex dynamical behavior and pattern formation are identified for bright and dark solitary waves propagating around an active magnetic thin film-based feedback ring: (1) periodic breathing; (2) complex recurrence; (3) spontaneous spatial shifting; and (4) intermittency. These nontransient, long lifetime behaviors are observed in microwave spin wave envelopes circulating within a dispersive, nonlinear yttrium iron garnet waveguide operating in a ring geometry where the net losses are directly compensated for via linear amplification on each round trip O(100 ns). The behaviors exhibit periods ranging from tens to thousands of round trip times O($\mu$ s) and are stable for 1000s of periods O(ms). We present 10 observations of these dynamical behaviors which span the experimentally accessible ranges of attractive cubic nonlinearity, dispersion, and external field strength that support the self-generation of backward volume spin waves in a four-wave-mixing dominant regime. Three-wave splitting is not explicitly forbidden and is treated as an additional source of nonlinear losses. Each of these long lifetime behaviors of bright solitary waves was previously numerically predicted to be observable. The dynamical pattern formation of dark solitary waves in attractive nonlinearity, however, is entirely novel and is reported for both the periodic breather and complex recurrence behaviors. All behaviors are identified in the group velocity co-moving frame.",2003.10541v2 2020-05-18,The Einstein - de Haas effect at radio frequencies in and near magnetic equilibrium,"The Einstein-de Haas (EdH) effect and its reciprocal the Barnett effect are fundamental to magnetism and uniquely yield measures of the ratio of magnetic moment to total angular momentum. These effects, small and generally difficult to observe, are enjoying a resurgence of interest as contemporary techniques enable new approaches to their study. The high mechanical resonance frequencies in nanomechanical systems offer a tremendous advantage for the observation of EdH torques in particular. At radio frequencies, the EdH effect can become comparable to or even exceed in magnitude conventional cross-product magnetic torques. In addition, the RF-EdH torque is expected to be phase-shifted by 90 degrees relative to cross-product torques, provided the magnetic system remains in quasi-static equilibrium, enabling separation in quadratures when both sources of torque are operative. Radio frequency EdH measurements are demonstrated through the full hysteresis range of micrometer scale, monocrystalline yttrium iron garnet (YIG) disks. Equilibrium behavior is observed in the vortex state at low bias field. Barkhausen-like features emerge in the in-plane EdH torque at higher fields in the vortex state, revealing magnetic disorder too weak to be visible through the in-plane cross-product torque. Beyond vortex annihilation, peaks arise in the EdH torque versus bias field, and these together with their phase signatures indicate additional utility of the Einstein-de Haas effect for the study of RF-driven spin dynamics.",2005.08406v1 2020-05-20,Controlling the propagation of dipole-exchange spin waves using local inhomogeneity of the anisotropy,"Spin waves are promising candidates to carry, transport, and process information. Controlling the propagation characteristics of spin waves in magnetic materials is an essential ingredient for designing spin-wave based computing architectures. Here, we study the influence of surface inhomogeneities on the spin-wave signals transmitted through thin films. We use micromagnetic simulations to study the spin-wave dynamics in an in-plane magnetized yttrium iron garnet thin film with a thickness in the nanometre range in the presence of surface defects in the form of locally introduced uniaxial anisotropies. These defects are used to demonstrate that the Backward Volume Magnetostatic Spin Waves (BVMSW) are more responsive to backscattering in comparison to Magnetostatic Surface Spin Waves (MSSWs). For this particular defect type, the reason for this behavior can be quantitatively related to the difference in the magnon band structures for the two types of spin waves. To demonstrate this, we develop a quasi-analytical theory for the scattering process. It shows an excellent agreement with the micromagnetic simulations, sheds light on the backscattering processes and provides a new way to analyze the spin-wave transmission rates in the presence of surface inhomogeneities in sufficiently thin films, for which the role of exchange energy in the spin-wave dynamics is significant. Our study paves the way to designing magnonic logic devices for data processing which rely on a designed control of the spin-wave transmission.",2005.09965v2 2020-07-31,Manipulating the photonic Hall effect with hybrid Mie-exciton resonances,"We examine the far-field optical response, under-plane wave excitation in the presence of a static magnetic field, of core-shell nanoparticles involving a gyroelectric component, either as the inner or the outer layer, through analytic calculations based on appropriately extended Mie theory. We focus on absorption and scattering of light by bismuth-substituted yttrium iron garnet (Bi:YIG) nanospheres and nanoshells, combined with excitonic materials such as organic-molecule aggregates or two-dimensional transition-metal dichalcogenides, and discuss the hybrid character of the modes emerging from the coupling of the two constituents. We observe the excitation of strong magneto-optic phenomena and explore, in particular, the response and tunability of a magneto-transverse light current, indicative of the photonic Hall effect. We show how interaction between the Bi:YIG and excitonic layers leads to a pair of narrow bands of highly directional scattering, emerging from the aforementioned hybridization, which can be tuned at will by adjusting the geometrical or optical parameters of the system. Our theoretical study introduces optically anisotropic media as promising templates for strong coupling in nanophotonics, offering a means to combine tunable magnetic and optical properties, with potential implications both in the design of all-dielectric photonic devices but also in novel clinical applications.",2007.16062v2 2020-12-01,Towards a quantum interface between spin waves and paramagnetic spin baths,"Spin waves have risen as promising candidate information carriers for the next generation of information technologies. Recent experimental demonstrations of their detection using electron spins in diamond pave the way towards studying the back-action of a controllable paramagnetic spin bath on the spin waves. Here, we present a quantum theory describing the interaction between spin waves and paramagnetic spins. As a case study we consider an ensemble of nitrogen-vacancy spins in diamond in the vicinity of an Yttrium-Iron-Garnet thin film. We show how the back-action of the ensemble results in strong and tuneable modifications of the spin-wave spectrum and propagation properties. These modifications include the full suppression of spin-wave propagation and, in a different parameter regime, the enhancement of their propagation length by $\sim 50\%$. Furthermore, we show how the spin wave thermal fluctuations induce a measurable frequency shift of the paramagnetic spins in the bath. This shift results in a thermal dispersion force that can be measured optically and/or mechanically with a diamond mechanical resonator. In addition, we use our theory to compute the spin wave-mediated interaction between the spins in the bath. We show that all the above effects are measurable by state-of-the-art experiments. Our results provide the theoretical foundation for describing hybrid quantum systems of spin waves and spin baths, and establish the potential of quantum spins as active control, sensing, and interfacing tools for spintronics.",2012.00540v1 2021-02-26,Control of the Bose-Einstein Condensation of Magnons by the Spin-Hall Effect,"Previously, it has been shown that rapid cooling of yttrium-iron-garnet (YIG)/platinum (Pt) nano structures, preheated by an electric current sent through the Pt layer, leads to overpopulation of a magnon gas and to subsequent formation of a Bose-Einstein condensate (BEC) of magnons. The spin Hall effect (SHE), which creates a spin-polarized current in the Pt layer, can inject or annihilate magnons depending on the electric current and applied field orientations. Here we demonstrate that the injection or annihilation of magnons via the SHE can prevent or promote the formation of a rapid cooling induced magnon BEC. Depending on the current polarity, a change in the BEC threshold of -8% and +6% was detected. These findings demonstrate a new method to control macroscopic quantum states, paving the way for their application in spintronic devices.",2102.13481v2 2021-04-16,Implementing a magnonic time-delay reservoir computer model,"Recently we demonstrated experimentally that microwave oscillators based on the time delay feedback provided by traveling spin waves could operate as reservoir computers. In the present paper, we extend this concept by adding the feature of time multiplexing made available by the large propagation times/distances of traveling spin waves. The system utilizes the nonlinear behavior of propagating magnetostatic surface spin waves in a yttrium-iron garnet thin film and the time delay inherent in the active ring configuration to process time dependent data streams. Higher reservoir dimensionality is obtained through the time-multiplexing method, emulating ""virtual"" neurons as temporally separated spin-wave pulses circulating in the active ring below the auto-oscillation threshold. To demonstrate the efficacy of the concept, the active ring reservoir computer is evaluated on the short-term memory and parity check benchmark tasks, and the physical system parameters are tuned to optimize performance. By incorporating a reference line to mix the input signal directly onto the active ring output, both the amplitude and phase nonlinearity of the spin waves can be exploited, resulting in significant improvement on the nonlinear parity check task. We also find that the fading memory capacity of the system can be easily tuned by controlling the active ring gain. Finally, we show that the addition of a second spin-wave delay line configured to transmit backward volume spin waves can partly compensate dispersive pulse broadening and enhance the fading memory capacity of the active ring.",2104.07879v1 2021-04-16,Strong magnon-photon coupling with chip-integrated YIG in the zero-temperature limit,"The cross-integration of spin-wave and superconducting technologies is a promising method for creating novel hybrid devices for future information processing technologies to store, manipulate, or convert data in both classical and quantum regimes. Hybrid magnon-polariton systems have been widely studied using bulk Yttrium Iron Garnet (Y$_{3}$Fe$_{5}$O$_{12}$, YIG) and three-dimensional microwave photon cavities. However, limitations in YIG growth have thus far prevented its incorporation into CMOS compatible technology such as high quality factor superconducting quantum technology. To overcome this impediment, we have used Plasma Focused Ion Beam (PFIB) technology -- taking advantage of precision placement down to the micron-scale -- to integrate YIG with superconducting microwave devices. Ferromagnetic resonance has been measured at millikelvin temperatures on PFIB-processed YIG samples using planar microwave circuits. Furthermore, we demonstrate strong coupling between superconducting resonator and YIG ferromagnetic resonance modes by maintaining reasonably low loss while reducing the system down to the micron scale. This achievement of strong coupling on-chip is a crucial step toward fabrication of functional hybrid quantum devices that advantage from spin-wave and superconducting components.",2104.08068v3 2021-08-25,Quantum network with magnonic and mechanical nodes,"A quantum network consisting of magnonic and mechanical nodes connected by light is proposed. Recent years have witnessed a significant development in cavity magnonics based on collective spin excitations in ferrimagnetic crystals, such as yttrium iron garnet (YIG). Magnonic systems are considered to be a promising building block for a future quantum network. However, a major limitation of the system is that the coherence time of the magnon excitations is limited by their intrinsic loss (typically in the order of 1 $\mu$s for YIG). Here, we show that by coupling the magnonic system to a mechanical system using optical pulses, an arbitrary magnonic state (either classical or quantum) can be transferred to and stored in a distant long-lived mechanical resonator. The fidelity depends on the pulse parameters and the transmission loss. We further show that the magnonic and mechanical nodes can be prepared in a macroscopic entangled state. These demonstrate the quantum state transfer and entanglement distribution in such a novel quantum network of magnonic and mechanical nodes. Our work shows the possibility to connect two separate fields of optomagnonics and optomechanics, and to build a long-distance quantum network based on magnonic and mechanical systems.",2108.11156v3 2021-12-21,Fast long-wavelength exchange spin waves in partially-compensated Ga:YIG,"Spin waves in yttrium iron garnet (YIG) nano-structures attract increasing attention from the perspective of novel magnon-based data processing applications. For short wavelengths needed in small-scale devices, the group velocity is directly proportional to the spin-wave exchange stiffness constant $\lambda_\mathrm{ex}$. Using wave vector resolved Brillouin Light Scattering (BLS) spectroscopy, we directly measure $\lambda_\mathrm{ex}$ in Ga-substituted YIG thin films and show that it is about three times larger than for pure YIG. Consequently, the spin-wave group velocity overcomes the one in pure YIG for wavenumbers $k > 4$ rad/$\mu$m, and the ratio between the velocities reaches a constant value of around 3.4 for all $k > 20$ rad/$\mu$m. As revealed by vibrating-sample magnetometry (VSM) and ferromagnetic resonance (FMR) spectroscopy, Ga:YIG films with thicknesses down to 59 nm have a low Gilbert damping ($\alpha < 10^{-3}$), a decreased saturation magnetization $\mu_0 M_\mathrm{S}~\approx~20~$mT and a pronounced out-of-plane uniaxial anisotropy of about $\mu_0 H_{\textrm{u1}} \approx 95 $ mT which leads to an out-of-plane easy axis. Thus, Ga:YIG opens access to fast and isotropic spin-wave transport for all wavelengths in nano-scale systems independently of dipolar effects.",2112.11348v1 2022-01-23,Squeezed driving induced entanglement and squeezing among cavity modes and magnon mode in a magnon-cavity QED system,"We propose a scheme to generate entanglement between two cavity modes and squeeze magnon mode in a magnon-cavity QED system, where the two microwave cavity modes are coupled with a massive yttrium iron garnet (YIG) sphere through magnetic dipole interaction. The nonlinearity used in our system originates from a squeezed driving via parametric down-conversion process, which is the reason to cause entanglement and squeezing. By using the mean field approximation and employing experimentally feasible parameters, we demonstrate that the system shows zero entanglement and squeezing without squeezed driving. Meanwhile, our QED system denotes that the entanglement between squeezed cavity mode and magnon mode can be transferred to the other cavity mode and magnon mode via magnon-cavity coupling interaction, and then the two cavity modes get entangled. A genuinely tripartite entangled state is formed. We also show that magnon mode can be prepared in a squeezed state via magnon-cavity beam-splitter interaction, which is as a result of the squeezed field. Moreover, we show that it is a good way to enhance entanglement and squeezing by increasing the nonlinear gain coefficient of squeezed driving. Our results denote that magnon-cavity QED system is a powerful platform for studying macroscopic quantum phenomena, which illustrates a new method to photon-photon entanglement and magnon squeezing.",2201.09154v1 2022-01-26,Multi-band Bose-Einstein condensate at four-particle scattering resonance,"Superfluidity and superconductivity are macroscopic manifestations of quantum mechanics, which have fascinated scientists since their discoveries roughly a century ago. Ever since the initial theories of such quantum fluids were formulated, there has been speculation as to the possibility of multi-component quantum order. A particularly simple multi-component condensate is built from particles occupying different quantum states, or bands, prior to condensation. The particles in one or both bands may undergo condensation, as seen for certain solids and anticipated for certain cold atom systems. For bulk solids, the different bands always order simultaneously, with conventional pairing characterized by complex order parameters describing the condensates in each band. Another type of condensate, notably occurring at room temperature, has been identified for magnons, the magnetic analogue of lattice vibrations, injected by microwaves into yttrium iron garnet. Here we show that magnon quantization for thin samples results in a new multi-band magnon condensate. We establish a phase diagram, as a function of microwave drive power and frequency relative to the magnon bands, revealing both single and multi-band condensation. The most stable multi-band condensate is found in a narrow regime favoured on account of a resonance in the scattering between two bands. Our discovery introduces a flexible non-equilibrium platform operating at room temperature for a well-characterised material, exploiting a Feshbach-like resonance, for examining multi-band phenomena. It points to qualitatively new ways to engineer and control condensates and superconducting states in multiband systems and potential devices containing multiple interacting condensates.",2201.11043v1 2022-02-25,Direct probing of strong magnon-photon coupling in a planar geometry,"We demonstrate direct probing of strong magnon-photon coupling using Brillouin light scattering spectroscopy in a planar geometry. The magnonic hybrid system comprises a split-ring resonator loaded with epitaxial yttrium iron garnet thin films of 200 nm and 2.46 $\mu$m thickness. The Brillouin light scattering measurements are combined with microwave spectroscopy measurements where both biasing magnetic field and microwave excitation frequency are varied. The cooperativity for the 200 nm-thick YIG films is 4.5, and larger cooperativity of 137.4 is found for the 2.46 $\mu$m-thick YIG film. We show that Brillouin light scattering is advantageous for probing the magnonic character of magnon-photon polaritons, while microwave absorption is more sensitive to the photonic character of the hybrid excitation. A miniaturized, planar device design is imperative for the potential integration of magnonic hybrid systems in future coherent information technologies, and our results are a first stepping stone in this regard. Furthermore, successfully detecting the magnonic hybrid excitation by Brillouin light scattering is an essential step for the up-conversion of quantum signals from the optical to the microwave regime in hybrid quantum systems.",2202.12696v1 2022-05-27,Magnonic Casimir Effect in Ferrimagnets,"Quantum fluctuations are the key concepts of quantum mechanics. Quantum fluctuations of quantum fields induce a zero-point energy shift under spatial boundary conditions. This quantum phenomenon, called the Casimir effect, has been attracting much attention beyond the hierarchy of energy scales, ranging from elementary particle physics to condensed matter physics together with photonics. However, the application of the Casimir effect to spintronics has not yet been investigated enough, particularly to ferrimagnetic thin films, although yttrium iron garnet (YIG) is one of the best platforms for spintronics. Here we fill this gap. Using the lattice field theory, we investigate the Casimir effect induced by quantum fields for magnons in insulating magnets and find that the magnonic Casimir effect can arise not only in antiferromagnets but also in ferrimagnets including YIG thin films. Our result suggests that YIG, the key ingredient of magnon-based spintronics, can serve also as a promising platform for manipulating and utilizing Casimir effects, called Casimir engineering. Microfabrication technology can control the thickness of thin films and realize the manipulation of the magnonic Casimir effect. Thus, we pave the way for magnonic Casimir engineering.",2205.13802v3 2022-06-27,Thermal spin current generation in the multifunctional ferrimagnet Ga$_{0.6}$Fe$_{1.4}$O$_{3}$,"In recent years, multifunctional materials have attracted increasing interest for magnetic memories and energy harvesting applications. Magnetic insulating materials are of special interest for this purpose, since they allow the design of more efficient devices due to the lower Joule heat losses. In this context, Ga$_{0.6}$Fe$_{1.4}$O$_3$ (GFO) is a good candidate for spintronics applications, since it can exhibit multiferroicity and presents a spin Hall magnetoresistance similar to the one observed in a yttrium iron garnet (YIG)/Pt bilayer. Here, we explore GFO utilizing thermo-spin measurements in an on-chip approach. By carefully considering the geometry of our thermo-spin devices we are able to quantify the spin Seebeck effect and the spin current generation in a GFO/Pt bilayer, obtaining a value comparable to that of YIG/Pt. This further confirms the promises of an efficient spin current generation with the possibility of an electric-field manipulation of the magnetic properties of the system in an insulating ferrimagnetic material.",2206.13426v2 2022-08-29,Confinement of Bose-Einstein magnon condensates in adjustable complex magnetization landscapes,"Coherent wave states such as Bose-Einstein condensates (BECs), which spontaneously form in an overpopulated magnon gas even at room temperature, have considerable potential for wave-based computing and information processing at microwave frequencies. The ability to control the transport properties of magnon BECs plays an essential role for their practical use. Here, we demonstrate spatio-temporal control of the BEC density distribution through the excitation of magnon supercurrents in an inhomogeneously magnetized yttrium iron garnet film. The BEC is created by microwave parametric pumping and probed by Brillouin light scattering spectroscopy. The desired magnetization profile is prepared by heating the film with optical patterns projected onto its surface using a phase-based wavefront modulation technique. Specifically, we observe a pronounced spatially localized magnon accumulation caused by magnon supercurrents flowing toward each other originating in two heated regions. This accumulation effect increases the BEC lifetime due to the constant influx of condensed magnons into the confinement region. The shown approach to manipulate coherent waves provides an opportunity to extend the lifetime of freely evolving magnon BECs, create dynamic magnon textures, and study the interaction of magnon condensates formed in different regions of the sample.",2208.13507v1 2022-09-05,Nonlocal detection of interlayer three-magnon coupling,"A leading nonlinear effect in magnonics is the interaction that splits a high-frequency magnon into two low-frequency ones with conserved linear momentum. Here, we report experimental observation of nonlocal three-magnon scattering between spatially separated magnetic systems, viz. a CoFeB nanowire and an yttrium iron garnet (YIG) thin film. Above a certain threshold power of an applied microwave field, a CoFeB Kittel magnon splits into a pair of counter-propagating YIG magnons that induce voltage signals in Pt electrodes on each side, in excellent agreement with model calculations based on the interlayer dipolar interaction. The excited YIG magnon pairs reside mainly in the first excited (n=1) perpdendicular standing spin-wave mode. With increasing power, the n=1 magnons successively scatter into nodeless (n=0) magnons through a four-magnon process. Our results help to assess non-local scattering processes in magnonic circuits that may enable quantum entanglement between distant magnons for quantum information applications.",2209.01875v1 2022-11-12,Quantum control of a single magnon in a macroscopic spin system,"Non-classical quantum states are the pivotal features of a quantum system that differs from its classical counterpart. However, the generation and coherent control of quantum states in a macroscopic spin system remain an outstanding challenge. Here we experimentally demonstrate the quantum control of a single magnon in a macroscopic spin system (i.e., 1~mm-diameter yttrium-iron-garnet sphere) coupled to a superconducting qubit via a microwave cavity. By tuning the qubit frequency {\it in situ} via the Autler-Townes effect, we manipulate this single magnon to generate its non-classical quantum states, including the single-magnon state and the superposition state of a single magnon and vacuum. Moreover, we confirm the deterministic generation of these non-classical states by Wigner tomography. Our experiment offers the first reported deterministic generation of the non-classical quantum states in a macroscopic spin system and paves a way to explore its promising applications in quantum engineering.",2211.06644v3 2022-11-16,Detection sensitivity enhancement of magnon Kerr nonlinearity in cavity magnonics induced by coherent perfect absorption,"We show how to enhance the detection sensitivity of magnon Kerr nonlinearity (MKN) in cavity magnonics. The considered cavity-magnon system consists of a three-dimensional microwave cavity containing two yttrium iron garnet (YIG) spheres, where the two magnon modes (one has the MKN, while the other is linear) in YIG spheres are simultaneously coupled to microwave photons. To obtain the effective gain of the cavity mode, we feed two input fields into the cavity. By choosing appropriate parameters, the coherent perfect absorption of the two input fields occurs, and the cavity-magnon system can be described by an effective non-Hermitian Hamiltonian. Under the pseudo-Hermitian conditions, the effective Hamiltonian can host the third-order exceptional point (EP3), where the three eigenvalues of the Hamiltonian coalesce into one. When the magnon frequency shift $\Delta_K$ induced by the MKN is much smaller than the linewidths $\Gamma$ of the peaks in the transmission spectrum of the cavity (i.e., $\Delta_K\ll \Gamma$), the magnon frequency shift can be amplified by the EP3, which can be probed via the output spectrum of the cavity. The scheme we present provides an alternative approach to measure the MKN in the region $\Delta_K\ll \Gamma$ and has potential applications in designing low-power nonlinear devices based on the MKN.",2211.08922v2 2023-01-16,Crystal orientation dependent spin pumping in Bi0.1Y2.9Fe5O12/Pt interface,"Ferromagnetic resonance (FMR) based spin pumping is a versatile tool to quantify the spin mixing conductance and spin to charge conversion (S2CC) efficiency of ferromagnet/normal metal (FM/NM) heterostructure. The spin mixing conductance of FM/NM interface can also be tuned by the crystal orientation symmetry of epitaxial FM. In this work, we study the S2CC in epitaxial Bismuth substituted Yttrium Iron Garnet (Bi0.1Y2.9Fe5O12) thin films Bi-YIG (100 nm) interfaced with heavy metal platinum (Pt (8 nm)) deposited by pulsed laser deposition process on different crystal orientation Gd3Ga5O12 (GGG) substrates i.e. [100] and [111]. The crystal structure and surface roughness characterized by X-Ray diffraction and atomic force microscopy measurements establish epitaxial Bi-YIG[100], Bi-YIG[111] orientations and atomically flat surfaces respectively. The S2CC quantification has been realized by two complimentary techniques, (i) FMR-based spin pumping and inverse spin Hall effect (ISHE) at GHz frequency and (ii) temperature dependent spin Seebeck measurements. FMR-ISHE results demonstrate that the [111] oriented Bi-YIG/Pt sample shows significantly higher values of spin mixing conductance ((2.31+-0.23)x10^18 m^-2) and spin Hall angle (0.01+-0.001) as compared to the [100] oriented Bi-YIG/Pt. A longitudinal spin Seebeck measurement reveals that the [111] oriented sample has higher spin Seebeck coefficient (106.40+-10 nV mm-1 K-1). This anisotropic nature of spin mixing conductance and spin Seebeck coefficient in [111] and [100] orientation has been discussed using the magnetic environment elongation along the surface normal or parallel to the growth direction. Our results aid in understanding the role of crystal orientation symmetry in S2CC based spintronics devices.",2301.06477v1 2023-02-02,Ultrastrong Magnon-Photon Coupling Achieved by Magnetic Films in Contact with Superconducting Resonators,"Coherent coupling between spin wave excitations (magnons) and microwave photons in a cavity may disclose new paths to unconventional phenomena as well as for novel applications. Here, we present a systematic investigation on YIG (Yttrium Iron Garnet) films on top of coplanar waveguide resonators made of superconducting YBCO. We first show that spin wave excitations with frequency higher than the Kittel mode can be excited by putting in direct contact a 5~$\mu$m thick YIG film with the YBCO coplanar resonator (cavity frequency $\omega_c/2 \pi = 8.65$~GHz). With this configuration, we obtain very large values of the collective coupling strength $\lambda/2 \pi \approx 2$~GHz and cooperativity $C=5 \times 10^4$. Transmission spectra are analyzed by a modified Hopfield model for which we provide an exact solution that allows us to well reproduce spectra by introducing a limited number of free parameters. It turns out that the coupling of the dominant magnon mode with photons exceeds 0.2 times the cavity frequency, thus demonstrating the achievement of the ultrastrong coupling regime with this architecture. Our analysis also shows a vanishing contribution of the diamagnetic term which is a peculiarity of pure spin systems.",2302.00804v2 2023-02-10,Laser-induced magnonic band gap formation and control in YIG/GaAs heterostructure,"We demonstrate the laser-induced control over spin-wave (SW) transport in the magnonic crystal (MC) waveguide formed from the semiconductor slab placed on the ferrite film. We considered bilayer MC with periodical grooves performed on the top of the n-type gallium arsenide slab side that oriented to the yttrium iron garnet film. To observe the appearance of magnonic gap induced by laser radiation, the fabricated structure was studied by the use of microwave spectroscopy and Brillouin light-scattering. We perform detailed numerical studies of this structure. We showed that the optical control of the magnonic gaps (frequency width and position) is related to the variation of the charge carriers' concentration in GaAs. We attribute these to nonreciprocity of SW transport in the layered structure. Nonreciprocity was induced by the laser exposure of the GaAs slab due to SWs' induced electromagnetic field screening by the optically-generated charge carriers. We showed that SW dispersion, nonreciprocity, and magnonic band gap position and width in the ferrite-semiconductor magnonic crystal can be modified in a controlled manner by laser radiation. Our results show the possibility of the integration of magnonics and semiconductor electronics on the base of YIG/GaAs structures.",2302.05310v1 2023-03-04,Controllable magnon-induced transparency in a ferromagnetic material via cross- and self-Kerr effects,"Nonlinear interactions between optical fields and magnetic modes in cavity magnonics constitute a rich source of various nontrivial effects in optics and quantum information processing. In cavity magnonics, the nonlinear cross-Kerr effect, which shifts the cavity's central frequency when a magnetic material is pumped, causes the system to exhibit both Kittle and magnetostatic modes. Here, we propose a new scheme for the investigation of probe fields transmission profiles in cavity magnonic systems composed of a microwave cavity and a ferromagnetic material (Yttrium iron garnet sphere). We report single-to-double magnon-induced transparency (MIT) dips and a sharp magnon-induced absorption (MIA) peak, and demonstrate how nonlinear cross- and self-Kerr interactions can significantly enhance or suppress these phenomena. It is observed that the splitting of the MIT window occurs when we incorporate magnon-magnon modes coupling, which helps introducing a new degree of freedom to light-matter interaction problems. Moreover, we investigate the propagation of group delay in the vicinity of transparency and demonstrate how a sharp dip allows the realization of slow light for a longer period of time. We found that both the cavity-Kittle and magnon-magnon modes coupling parameters influence the propagation of group delay, which demonstrates how subluminal-to-superluminal (and vice versa) propagation phenomena may occur and transform. These findings could pave the way for future research into nonlinear effects with novel applications in cavity magnonics devices, which might be exploited for several applications such as quantum computing devices and quantum memories.",2303.02332v1 2023-04-03,Observation of spin-wave moiré edge and cavity modes in twisted magnetic lattices,"We report the experimental observation of the spin-wave moir\'e edge and cavity modes using Brillouin light scattering spectro-microscopy in a nanostructured magnetic moir\'e lattice consisting of two twisted triangle antidot lattices based on an yttrium iron garnet thin film. Spin-wave moir\'e edge modes are detected at an optimal twist angle and with a selective excitation frequency. At a given twist angle, the magnetic field acts as an additional degree of freedom for tuning the chiral behavior of the magnon edge modes. Micromagnetic simulations indicate that the edge modes emerge within the original magnonic band gap and at the intersection between a mini-flatband and a propagation magnon branch. Our theoretical estimate for the Berry curvature of the magnon-magnon coupling suggests a non-trivial topology for the chiral edge modes and confirms the key role played by the dipolar interaction. Our findings shed light on the topological nature of the magnon edge mode for emergent moir\'e magnonics.",2304.01001v1 2023-04-18,Transient non-collinear magnetic state for all-optical magnetization switching,"Resonant absorption of a photon by bound electrons in a solid can promote an electron to another orbital state or transfer it to a neighboring atomic site. Such a transition in a magnetically ordered material could affect the magnetic order. While this process is an obvious road map for optical control of magnetization, experimental demonstration of such a process remains challenging. Exciting a significant fraction of magnetic ions requires a very intense incoming light beam, as orbital resonances are often weak compared to above-band-gap excitations. In the latter case, a sizeable reduction of the magnetization occurs as the absorbed energy increases the spin temperature, masking the non-thermal optical effects. Here, using ultrafast x-ray spectroscopy, we were able to resolve changes in the magnetization state induced by resonant absorption of infrared photons in Co-doped yttrium iron garnet, with negligible thermal effects. We found that the optical excitation of the Co ions affects the two distinct magnetic Fe sublattices differently, resulting in a transient non-collinear magnetic state. The present results indicate that the all-optical magnetization switching most likely occurs due to the creation of a transient, non-collinear magnetic state followed by coherent spin rotations of the Fe moments.",2304.08890v1 2023-04-21,Magnon squeezing by two-tone driving of a qubit in cavity-magnon-qubit systems,"We propose a scheme for preparing magnon squeezed states in a hybrid cavity-magnon-qubit system. The system consists of a microwave cavity that simultaneously couples to a magnon mode of a macroscopic yttrium-iron-garnet (YIG) sphere via the magnetic-dipole interaction and to a transmon-type superconducting qubit via the electric-dipole interaction. By far detuning from the magnon-qubit system, the microwave cavity is adiabatically eliminated. The magnon mode and the qubit then get effectively coupled via the mediation of virtual photons of the microwave cavity. We show that by driving the qubit with two microwave fields and by appropriately choosing the drive frequencies and strengths, magnonic parametric amplification can be realized, which leads to magnon quadrature squeezing with the noise below vacuum fluctuation. We provide optimal conditions for achieving magnon squeezing, and moderate squeezing can be obtained using currently available parameters. The generated squeezed states are of a magnon mode involving more than $10^{18}$ spins and thus macroscopic quantum states. The work may find promising applications in quantum information processing and high-precision measurements based on magnons and in the study of macroscopic quantum states.",2304.10760v4 2023-07-12,Quantum information diode based on a magnonic crystal,"Exploiting the effect of nonreciprocal magnons in a system with no inversion symmetry, we propose a concept of a quantum information diode, {\it i.e.}, a device rectifying the amount of quantum information transmitted in the opposite directions. We control the asymmetric left and right quantum information currents through an applied external electric field and quantify it through the left and right out-of-time-ordered correlation (OTOC). To enhance the efficiency of the quantum information diode, we utilize a magnonic crystal. We excite magnons of different frequencies and let them propagate in opposite directions. Nonreciprocal magnons propagating in opposite directions have different dispersion relations. Magnons propagating in one direction match resonant conditions and scatter on gate magnons. Therefore, magnon flux in one direction is damped in the magnonic crystal leading to an asymmetric transport of quantum information in the quantum information diode. A quantum information diode can be fabricated from an yttrium iron garnet (YIG) film. This is an experimentally feasible concept and implies certain conditions: low temperature and small deviation from the equilibrium to exclude effects of phonons and magnon interactions. We show that rectification of the flaw of quantum information can be controlled efficiently by an external electric field and magnetoelectric effects.",2307.06047v1 2023-07-14,Magnonic Combinatorial Memory,"In this work, we consider a type of magnetic memory where information is encoded into the mutual arrangements of magnets. The device is an active ring circuit comprising magnetic and electronic parts connected in series. The electric part includes a broad-band amplifier, phase shifters, and attenuators. The magnetic part is a mesh of magnonic waveguides with magnets placed on the waveguide junctions. There are amplitude and phase conditions for auto-oscillations to occur in the active ring circuit. The frequency(s) of the auto-oscillation and spin wave propagation route(s) in the magnetic part depends on the mutual arrangement of magnets in the mesh. The propagation route is detected with a set of power sensors. The correlation between circuit parameters and spin wave route is the base of memory operation. The combination of input/output switches connecting electric and magnetic parts, and electric phase shifters constitute the memory address. The output of power sensors is the memory state. We present experimental data on the proof-of-the-concept experiments on the prototype with just three magnets placed on top of a single-crystal yttrium iron garnet Y3Fe2(FeO4)3 (YIG) film. The results demonstrate a robust operation with On/Off ratio for route detection exceeding 35 dB at room temperature. The number of propagation routes scales factorial with the size of the magnetic part. Coding information in propagation routes makes it possible to drastically increase the data storage density compared to conventional memory devices. MCM with just 25 magnets can store as much as 25! (10 Yotta) bits. Physical limits and constraints are also discussed.",2307.07464v1 2023-08-02,Frequency Tunable Magnetostatic Wave Filters With Zero Static Power Magnetic Biasing Circuitry,"A single tunable filter simplifies complexity, reduces insertion loss, and minimizes size compared to frequency switchable filter banks commonly used for radio frequency (RF) band selection. Magnetostatic wave (MSW) filters stand out for their wide, continuous frequency tuning and high-quality factor. However, MSW filters employing electromagnets for tuning consume excessive power and space, unsuitable for consumer wireless applications. Here, we demonstrate miniature and high selectivity MSW tunable filters with zero static power consumption, occupying less than 2 cc. The center frequency is continuously tunable from 3.4 GHz to 11.1 GHz via current pulses of sub-millisecond duration applied to a small and nonvolatile magnetic bias assembly. This assembly is limited in the area over which it can achieve a large and uniform magnetic field, necessitating filters realized from small resonant cavities micromachined in thin films of Yttrium Iron Garnet. Filter insertion loss of 3.2 dB to 5.1 dB and out-of-band third order input intercept point greater than 41 dBm are achieved. The filter's broad frequency range, compact size, low insertion loss, high out-of-band linearity, and zero static power consumption are essential for protecting RF transceivers and antennas from interference, thus facilitating their use in mobile applications like IoT and 6G networks.",2308.00907v3 2023-09-16,Exploring orbital-charge conversion mediated by interfaces with copper through spin-orbital pumping,"We investigated how different materials affect the orbital-charge conversion in heterostructures with the naturally oxidized cooper capping layer. When we added a thin layer of $CuOx(3nm)$ onto yttrium iron garnet $(YIG)/W$ stacks, we observed a significant reduction in the charge current signal measured by means the spin pumping effect technique. This finding contrasts with the results of a prior study conducted on YIG/Pt/CuOx, which reported the opposite effect. On the other hand, when we added the same $CuOx(3nm)$ layer to $YIG/Ti(4nm)$ structures, there was not much change in the spin pumping signal. This occurred because Ti does not generate much orbital current at the $Ti/CuOx$ interface, unlike Pt, due to its weaker spin-orbit coupling. Interestingly, when we added the $CuOx(3nm)$ layer to $SiO_{2}/Py(5nm)/Pt(4nm)$ structures, the spin pumping signal increased. However, in $SiO_{2}/CuOx(3nm)/Pt(4nm)/Py(5nm)$ structures, the signal decreased. Finally, we delve into a theoretical analysis of the spin (orbital) Hall effect in YIG/Heavy-metal systems. These findings have the potential to advance research in the innovative field of orbitronics and contribute to the development of new technologies based on spin-orbital conversion.",2309.08857v2 2023-11-09,Bose-Einstein condensation in systems with flux equilibrium,"We consider flux equilibrium in dissipative nonlinear wave systems subject to external energy pumping. In such systems, the elementary excitations, or quasiparticles, can create a Bose-Einstein condensate. We develop a theory on the Bose-Einstein condensation of quasiparticles for various regimes of external excitation, ranging from weak and stationary to ultra-strong pumping, enabling us to determine the number of quasiparticles near the bottom of the energy spectrum and their distribution along wave vectors. We identify physical phenomena leading to condensation in each of the regimes. For weak stationary pumping, where the distribution of quasiparticles deviates only slightly from thermodynamic equilibrium, we define a range of pumping parameters where the condensation occurs and estimate the density of the condensate and the fraction of the condensed quasiparticles. As the pumping amplitude increases, a powerful influx of injected quasiparticles is created by the Kolmogorov-Zakharov scattering cascade, leading to their Bose-Einstein condensation. With even stronger pumping, kinetic instability may occur, resulting in a direct transfer of injected quasiparticles to the bottom of the spectrum. For the case of ultra-strong parametric pumping, we have developed a stationary nonlinear theory of kinetic instability. The theory agrees qualitatively with experimental data obtained using Brillouin light scattering spectroscopy during parametric pumping of magnons in room-temperature films of yttrium-iron garnet.",2311.05315v1 2023-11-29,Nonlinear erasing of propagating spin-wave pulses in thin-film Ga:YIG,"Nonlinear phenomena are key for magnon-based information processing, but the nonlinear interaction between two spin-wave signals requires their spatio-temporal overlap which can be challenging for directional processing devices. Our study focuses on a gallium-substituted yttrium iron garnet film, which exhibits an exchange-dominated dispersion relation and thus provides a particularly broad range of group velocities compared to pure YIG. Using time- and space-resolved Brillouin light scattering spectroscopy, we demonstrate the excitation of time-separated spin-wave pulses at different frequencies from the same source, where the delayed pulse catches up with the previously excited pulse and outruns it due to its higher group velocity. By varying the excitation power of the faster pulse, the outcome can be finely tuned from a linear superposition to a nonlinear interaction of both pulses, resulting in a full attenuation of the slower pulse. Therefore, our findings demonstrate the all-magnonic erasing process of a propagating magnonic signal, which enables the realization of complex temporal logic operations with potential application, e.g., in inhibitory neuromorphic functionalities.",2311.17821v2 2023-12-07,Magnon-Photon Coupling in an Opto-Electro-Magnonic Oscillator,"The opto-electronic oscillators (OEOs) hosting self-sustained oscillations by a time delayed mechanism are of particular interest in long-haul signal transmission and processing. On the other hand, owing to their unique tunability and compatibility, magnons - as elementary excitations of spin waves - are advantageous carriers for coherent signal transduction across different platforms. In this work, we integrated an opto-electronic oscillator with a magnonic oscillator consisting of a microwave waveguide and a yttrium iron garnet sphere. We find that, in the presence of the magnetic sphere, the oscillator power spectrum exhibits sidebands flanking the fundamental OEO modes. The measured waveguide transmission reveals anti-crossing gaps, a hallmark of the coupling between the opto-electronic oscillator modes and the Walker modes of the sphere. Experimental results are well reproduced by a coupled-mode theory that accounts for nonlinear magnetostrictive interactions mediated by the magnetic sphere. Leveraging the advanced fiber-optic technologies in opto-electronics, this work lays out a new, hybrid platform for investigating long distance coupling and nonlinearity in coherent magnonic phenomena.",2312.04676v2 2023-12-08,Engineering synthetic gauge fields through the coupling phases in cavity magnonics,"Cavity magnonics, which studies the interaction of light with magnetic systems in a cavity, is a promising platform for quantum transducers, quantum memories, and devices with non-reciprocal behaviour. At microwave frequencies, the coupling between a cavity photon and a magnon, the quasi-particle of a spin wave excitation, is a consequence of the Zeeman interaction between the cavity's magnetic field and the magnet's macroscopic spin. For each photon/magnon interaction, a coupling phase factor exists, but is often neglected in simple systems. However, in ""loop-coupled"" systems, where there are at least as many couplings as modes, the coupling phases become relevant for the physics and lead to synthetic gauge fields. We present experimental evidence of the existence of such coupling phases by considering two spheres made of Yttrium-Iron-Garnet and two different re-entrant cavities. We predict numerically the values of the coupling phases, and we find good agreement between theory and the experimental data. Theses results show that in cavity magnonics, one can engineer synthetic gauge fields, which can be useful for cavity-mediated coupling, dark mode memories, and building nonreciprocal devices.",2312.04915v3 2023-12-14,"Nonlocal damping of spin waves in a magnetic insulator induced by normal, heavy, or altermagnetic metallic overlayer: a Schwinger-Keldysh field theory approach","Understanding spin wave (SW) damping, and how to control it to the point of being able to amplify SW-mediated signals, is one of the key requirements to bring the envisaged magnonic technologies to fruition. Even widely used magnetic insulators with low magnetization damping in their bulk, such as yttrium iron garnet, exhibit 100-fold increase in SW damping due to inevitable contact with metallic layers in magnonic circuits, as observed in very recent experiments [I. Bertelli et al., Adv. Quantum Technol. 4, 2100094 (2021)] mapping SW damping in spatially-resolved fashion. Here, we provide microscopic and rigorous understanding of wavevector-dependent SW damping using extended Landau-Lifshitz-Gilbert equation with nonlocal damping tensor, instead of conventional local scalar Gilbert damping, as derived from Schwinger-Keldysh nonequilibrium quantum field theory. In this picture, the origin of nonlocal magnetization damping and thereby induced wavevector-dependent SW damping is interaction of localized magnetic moments of magnetic insulator with conduction electrons from the examined three different types of metallic overlayers -- normal, heavy, and altermagnetic. Due to spin-split energy-momentum dispersion of conduction electrons in the latter two cases, the nonlocal damping is anisotropic in spin and space, and it can be dramatically reduced by changing the relative orientation of the two layers when compared to the usage of normal metal overlayer.",2312.09140v1 2023-12-15,Magnon Bose-Einstein condensates: from time crystals and quantum chromodynamics to vortex sensing and cosmology,"Under suitable experimental conditions collective spin-wave excitations, magnons, form a Bose-Einstein condensate (BEC) where the spins precess with a globally coherent phase. Bose-Einstein condensation of magnons has been reported in a few systems, including superfluid phases of $^3$He, solid state systems such as Yttrium-iron-garnet (YIG) films, and cold atomic gases. Among these systems, the superfluid phases of $^3$He provide a nearly ideal test bench for coherent magnon physics owing to experimentally proven spin superfluidity, the long lifetime of the magnon condensate, and the versatility of the accessible phenomena. We first briefly recap the properties of the different magnon BEC systems, with focus on superfluid $^3$He. The main body of this review summarizes recent advances in application of magnon BEC as a laboratory to study basic physical phenomena connecting to diverse areas from particle physics and cosmology to new phases of condensed matter. This line of research complements the ongoing efforts to utilize magnon BECs as probes and components for potentially room-temperature quantum devices. In conclusion, we provide a roadmap for future directions in the field of applications of magnon BEC to fundamental research.",2312.10119v1 2023-12-22,Magnon-assisted magnetization reversal of Ni81Fe19 nanostripes on Y3Fe5O12 with different interfaces,"Magnetic bit writing by short-wave magnons without conversion to the electrical domain is expected to be a game-changer for in-memory computing architectures. Recently, the reversal of nanomagnets by propagating magnons was demonstrated. However, experiments have not yet explored different wavelengths and the nonlinear excitation regime of magnons required for computational tasks. We report on the magnetization reversal of individual 20-nm-thick Ni81Fe19 (Py) nanostripes integrated onto 113-nm-thick yttrium iron garnet (YIG). We suppress direct interlayer exchange coupling by an intermediate layer such as Cu and SiO2. Exciting magnons in YIG with wavelengths {\lambda} down to 148 nm we observe the reversal of the integrated ferromagnets in a small opposing field of 14 mT. Magnons with a small wavelength of {\lambda} = 195 nm, i.e., twice the width of the Py nanostripes, induced the reversal at an unprecedentedly small spin precessional power of about 1 nW after propagating over 15 {\mu}m in YIG. Considerations based on dynamic dipolar coupling explain the observed wavelength dependence of magnon-induced reversal efficiency. For an increased power the stripes reversed in an opposing field of only about 1 mT. Our findings are important for the practical implementation of nonvolatile storage of broadband magnon signals in YIG by means of bistable nanomagnets without the need of an appreciable global magnetic field.",2312.15107v1 2024-01-04,Nonreciprocal photon blockade with Kerr magnons,"Nonreciprocal devices, allowing to manipulate one-way signals, are crucial to quantum information processing and quantum network. Here we propose a nonlinear cavity-magnon system, consisting of a microwave cavity coupled to one or two yttrium-iron-garnet (YIG) spheres supporting magnons with Kerr nonlinearity, to investigate nonreciprocal photon blockade. The nonreciprocity originates from the direction-dependent Kerr effect, distinctly different from previous proposals with spinning cavities and dissipative couplings. For a single sphere case, nonreciprocal photon blockade can be realized by manipulating the nonreciprocal destructive interference between two active paths, via vary the Kerr coefficient from positive to negative, or vice versa. By optimizing the system parameters, the perfect and well tuned nonreciprocal photon blockade can be predicted. For the case of two spheres with opposite Kerr effects, only reciprocal photon blockade can be observed when two cavity-magnon coupling strengths Kerr strengths are symmetric. However, when coupling strengths or Kerr strengths become asymmetric, nonreciprocal photon blockade appears. This implies that two-sphere nonlinear cavity-magnon systems can be used to switch the transition between reciprocal and nonreciprocal photon blockades. Our study offers a potential platform for investigating nonreciprocal photon blockade effect in nonlinear cavity magnonics.",2401.02251v1 2024-03-20,New opportunities in condensed matter physics for nanoscale quantum sensors,"Nitrogen vacancy (NV) centre quantum sensors provide unique opportunities in studying condensed matter systems: they are quantitative, noninvasive, physically robust, offer nanoscale resolution, and may be used across a wide range of temperatures. These properties have been exploited in recent years to obtain nanoscale resolution measurements of static magnetic fields arising from spin order and current flow in condensed matter systems. Compared with other nanoscale magnetic-field sensors, NV centres have the unique advantage that they can probe quantities that go beyond average magnetic fields. Leveraging techniques from magnetic resonance, NV centres can perform high precision noise sensing, and have given access to diverse systems, such as fluctuating electrical currents in simple metals and graphene, as well as magnetic dynamics in yttrium iron garnet. In this review we summarise unique opportunities in condensed matter sensing by focusing on the connections between specific NV measurements and previously established physical characteristics that are more readily understood in the condensed matter community, such as correlation functions and order parameters that are inaccessible by other techniques, and we describe the technical frontier enabled by NV centre sensing.",2403.13710v1 2024-02-19,Magnetic anisotropy and GGG substrate stray field in YIG films down to millikelvin temperatures,"Quantum magnonics investigates the quantum-mechanical properties of magnons such as quantum coherence or entanglement for solid-state quantum information technologies at the nanoscale. The most promising material for quantum magnonics is the ferrimagnetic yttrium iron garnet (YIG), which hosts magnons with the longest lifetimes. YIG films of the highest quality are grown on a paramagnetic gadolinium gallium garnet (GGG) substrate. The literature has reported that ferromagnetic resonance (FMR) frequencies of YIG/GGG decrease at temperatures below 50 K despite the increase in YIG magnetization. We investigated a 97 nm-thick YIG film grown on 500 $\mathrm{\mu}$m-thick GGG substrate through a series of experiments conducted at temperatures as low as 30 mK, and using both analytical and numerical methods. Our findings suggest that the primary factor contributing to the FMR frequency shift is the stray magnetic field created by the partially magnetized GGG substrate. This stray field is antiparallel to the applied external field and is highly inhomogeneous, reaching up to 40 mT in the center of the sample. At temperatures below 500 mK, the GGG field exhibits a saturation that cannot be described by the standard Brillouin function for a paramagnet. Including the calculated GGG field in the analysis of the FMR frequency versus temperature dependence allowed the determination of the cubic and uniaxial anisotropies. We find that the total anisotropy increases more than three times with the decrease in temperature down to 2 K. Our findings enable accurate predictions of the YIG/GGG magnetic systems behavior at low and ultra-low millikelvin temperatures, crucial for developing quantum magnonic devices.",2402.12112v1 2003-01-10,Enhancement of the electron electric dipole moment in gadolinium garnets,"Effects caused by the electron electric dipole moment (EDM) in gadolinium garnets are considered. Experimental studies of these effects could improve current upper limit on the electron EDM by several orders of magnitude. We suggest a consistent theoretical model and perform calculations of observable effects in gadolinium gallium garnet and gadolinium iron garnet. Our calculation accounts for both direct and exchange diagrams.",0301133v1 2008-06-04,Electric Field Induced Transformation of Magnetic Domain Structure in Magnetoelectric Iron Garnet Films,"The room temperature magnetoelectric effect was observed in epitaxial iron garnet films that appeared as magnetic domain wall motion induced by electric field. The films grown on gadolinium-gallium garnet substrates with various crystallographic orientations were examined. The effect was observed in (210) and (110) films and was not observed in (111) films. Dynamic observation of the domain wall motion in 400 V voltage pulses gave the value of domain wall velocity in the range 30-50 m/s. The same velocity was achieved in magnetic field pulse about 50 Oe.",0806.0811v1 2015-03-27,Crystal field and magnetism with Wannier functions: Rare-earth doped aluminum garnets,"Using the recently developed method we calculate the crystal field parameters in yttrium and lutetium aluminum garnets doped with seven trivalent Kramers rare-earth ions. We then insert calculated parameters into the atomic-like Hamiltonian taking into account the electron-electron, spin-orbit and Zeeman interactions and determine the multiplet splitting by the crystal field as well as magnetic $\hat{g}$ tensors. We compare calculated results with available experimental data.",1503.07987v2 2008-08-04,Superconductivity and Magnetism in REFeAsO1-xFx (RE=Rare Earth Elements),"Fluoride-doped iron-based oxypnictides containing rare-earth gadolinium (GdFeAsO0.8F0.2) and co-doping with yttrium (Gd0.8Y0.2FeAsO0.8F0.2) have been prepared via conventional solid state reaction at ambient pressure. The non-yttrium substituted oxypnictide show superconducting transition as high as 43.9 K from temperature dependent resistance measurements with the Meissner effect observed at a lower temperature of 40.8 K from temperature dependent magnetization measurements. By replacing a small amount of gadolinium with yttrium Tc was observed to be lowered by 10 K which might be caused by a change in the electronic or magnetic structures since the crystal structure was not altered.",0808.0289v1 2009-05-19,Orientation of Nd$^{3+}$ dipoles in yttrium aluminum garnet: A simple yet accurate model,"We report an experimental study of the 1064nm transition dipoles in neodymium doped yttrium aluminum garnet (Nd-YAG) by measuring the coupling constant between two orthogonal modes of a laser cavity for different cuts of the YAG gain crystal. We propose a theoretical model in which the transition dipoles, slightly elliptic, are oriented along the crystallographic axes. Our experimental measurements show a very good quantitative agreement with this model, and predict a dipole ellipticity between 2% and 3%. This work provides an experimental evidence for the simple description in which transition dipoles and crystallographic axes are collinear in Nd-YAG (with an accuracy better than 1 deg), a point that has been discussed for years.",0905.3125v1 2018-12-31,Vanadium in yttrium aluminum garnet: charge states and localization in the lattice,"Vanadium ions charge states and their incorporation in the yttrium aluminum garnet Y3Al5O12 (YAG) lattice were studied by the correlated optical absorption and electron paramagnetic resonance (EPR) measurements. In as-grown crystals, the occupation of the V3+ at both the octahedral and tetrahedral aluminum sites was proven. The V3+ to V4+ charge transformation was observed after annealing in air, whereas annealing in the hydrogen atmosphere resulted exclusively in a slight weakening of the V3+ absorption bands due to partial recharge of these ions. Spin Hamiltonian parameters of the V3+ and V4+ ions at the tetrahedral sites including the zero field splitting and the 51V hyperfine constants have been determined using the high-frequency, up to 300 GHz, EPR measurements. From the analysis of the spin Hamiltonian parameters in the framework of the crystal field theory, the ground state energy levels splitting of the V3+ and V4+ ions were calculated. The charge distribution over the tetrahedral V3+ and its nearest oxygen surroundings was found to be strongly inhomogeneous whereas the tetrahedral V4+ ion concentrated the charge with very weak participation of surrounding ligands. Furthermore, the correlation of the optical and EPR data allowed the proper assignment of the optical absorption peaks in YAG:V crystals.",1812.11877v1 2021-03-03,Calibration of the scintillation of cerium-doped yttrium aluminum garnet crystals irradiated by monoenergetic 4 MeV energy electrons,"This paper presents the results of measurements of fluorescing cerium-doped yttrium aluminum garnet crystals after being irradiated by an accelerated electron beam with energy of around 4 MeV. The measurements were performed using the PHIL linear accelerator at LAL (France). We observe linear dependence of the crystal emission to the electron beam charge and the isotropy of the photon emission. We provide the calibration coefficients of the photon emission depending on the charge of the accelerated electron beam for two crystals originating from two different manufacturers.",2103.02497v1 2018-05-07,Detection of the interfacial exchange field at a ferromagnetic insulator-nonmagnetic metal interface with pure spin currents,"At the interface between a nonmagnetic metal (NM) and a ferromagnetic insulator (FI) spin current can interact with the magnetization, leading to a modulation of the spin current. The interfacial exchange field at these FI-NM interfaces can be probed by placing the interface in contact with the spin transport channel of a lateral spin valve (LSV) device and observing additional spin relaxation processes. We study interfacial exchange field in lateral spin valve devices where Cu spin transport channel is in proximity with ferromagnetic insulator EuS (EuS-LSV) and yttrium iron garnet Y$_3$Fe$_5$O$_{12}$ (YIG-LSV). The spin signals were compared with reference lateral spin valve devices fabricated on nonmagnetic Si/SiO$_2$ substrate with MgO or AlO$_x$ capping. The nonlocal spin valve signal is about 4 and 6 times lower in the EuS-LSV and YIG-LSV, respectively. The suppression in the spin signal has been attributed to enhanced surface spin-flip probability at the Cu-EuS (or Cu-YIG) interface due to interfacial spin-orbit field. Besides spin signal suppression we also found widely observed low temperature peak in the spin signal at $T \sim$30 K is shifted to higher temperature in the case of devices in contact with EuS or YIG. Temperature dependence of spin signal for different injector-detector distances reveal fluctuating exchange field at these interfaces cause additional spin decoherence which limit spin relaxation time in addition to conventional sources of spin relaxation. Our results show that temperature dependent measurement with pure spin current can be used to probe interfacial exchange field at the ferromagnetic insulator-nonmagnetic metal interface.",1805.02433v2 2019-05-10,Experimental Implementations of Cavity-Magnon Systems: from Ultra Strong Coupling to Applications in Precision Measurement,"Several experimental implementations of cavity-magnon systems are presented. First an Yttrium Iron Garnet (YIG) block is placed inside a re-entrant cavity where the resulting hybrid mode is measured to be in the ultra strong coupling regime. When fully hybridised the ratio between the coupling rate and uncoupled mode frequencies is determined to be $g/\omega=0.46$. Next a thin YIG cylinder is placed inside a loop gap cavity. The bright mode of this cavity couples to the YIG sample and is similarly measured to be in the ultra strong coupling regime with ratio of coupling rate to uncoupled mode frequencies as $g/\omega=0.34$. A larger spin density medium such as lithium ferrite (LiFe) is expected to improve couplings by a factor of 1.46 in both systems as coupling strength is shown to be proportional to the square root of spin density and magnetic moment. Such strongly coupled systems are potentially useful for cavity QED, hybrid quantum systems and precision dark matter detection experiments. The YIG disc in the loop gap cavity, is, in particular, shown to be a strong candidate for dark matter detection. Finally, a LiFe sphere inside a two post re-entrant cavity is considered. In past work it was shown that the magnon mode in the sample has a turnover point in frequency. Additionally, it was predicted that if the system was engineered such that it fully hybridised at this turnover point the cavity-magnon polariton (CMP) transition frequency would become insensitive to both first and second order magnetic bias field fluctuations, a result useful for precision frequency applications. This work implements such a system by engineering the cavity mode frequency to near this turnover point, with suppression in sensitivity to second order bias magnetic field fluctuations shown.",1905.04002v2 2019-11-26,Free-standing and positionable microwave antenna device for magneto-optical spectroscopy experiments,"Modern spectroscopic techniques for the investigation of magnetization dynamics in micro- and nano- structures or thin films use typically microwave antennas which are directly fabricated on top of the sample by means of electron-beam-lithography (EBL). Following this approach, every magnetic structure on the sample needs its own antenna, resulting in additional EBL steps and layer deposition processes. We demonstrate a new approach for magnetization excitation that is suitable for optical and non-optical spectroscopy techniques. By patterning the antenna on a separated flexible glass cantilever and insulating it electrically, we solved the before mentioned issues. Since we use flexible transparent glass as a substrate, optical spectroscopy techniques like Brillouin-light-scattering microscopy ({\mu}BLS), time resolved magneto-optical Kerr effect measurements (TRMOKE) or optical detected magnetic resonance (ODMR) measurements can be carried out at visible laser wavelengths. As the antenna is detached from the sample it can be freely positioned in all three dimensions to adress only the desired magnetic sample structures and to achieve effective excitation. We demonstrate the functionality of these antennas using {\mu}BLS and compare coherently and thermally excited magnon spectra to show the enhancement of the signal by a factor of about 400 due to the excitation by the antenna. Moreover, we succeed to characterize yttrium iron garnet thin films with spatial resolution using optical ferromagnetic resonance (FMR) experiments. We analyse the spatial excitation profile of the antenna by measuring the magnetization dynamics in two dimensions. The technique is furthermore applied to investigate injection-locking of spin Hall nano-oscillators.",1911.11517v1 2020-02-02,A millimeter-wave Bell Test using a ferrite parametric amplifier and a homodyne interferometer,"A combined ferrite parametric amplifier and millimeter-wave homodyne interferometer are proposed as an ambient temperature Bell Test. It is shown that the non-linear magnetic susceptibility of the yttrium iron garnet (YIG) ferrite, on account of its narrow line-width Larmor precessional resonance, make it an ideal material for the creation of entangled photons. These can be measured using a homodyne interferometer, as the much larger number of thermally generated photons associated with ambient temperature emission can be screened out. The proposed architecture may enable YIG quantum technology-based sensors to be developed, mimicking in the millimeter-wave band the large number of quantum optical experiments in the near-infrared and visible regions which had been made possible by use of the nonlinear beta barium borate ferroelectric, an analogue of YIG. It is illustrated here how the YIG parametric amplifier can reproduce quantum optical Type I and Type II wave interactions, which can be used to create entangled photons in the millimeter-wave band. It is estimated that when half a cubic centimeter of YIG crystal is placed in a magnetic field of a few Tesla and pumped with 5 Watts of millimeter-wave radiation, approximately 0.5x10^12 entangled millimeter-wave photon pairs per second are generated by the spin-wave interaction. This means an integration time of only a few tens of seconds is needed for a successful Bell Test. A successful demonstration of this will lead to novel architectures of entanglement-based quantum technology room temperature sensors, re-envisioning YIG as a modern quantum material.",2002.00439v3 2020-08-21,"Macroscopic, layered onion shell like magnetic domain structure generated in YIG film using ultrashort, megagauss magnetic pulses","Study of the formation and evolution of large scale, ordered structures is an enduring theme in science. The generation, evolution and control of large sized magnetic domains are intriguing and challenging tasks, given the complex nature of competing interactions present in any magnetic system. Here, we demonstrate large scale non-coplanar ordering of spins, driven by picosecond, megagauss magnetic pulses derived from a high intensity, femtosecond laser. Our studies on a specially designed Yttrium Iron Garnet (YIG)/dielectric/metal film sandwich target, show the creation of complex, large, concentric, elliptical shaped magnetic domains which resemble the layered shell structure of an onion. The largest shell has a major axis of over hundreds of micrometers, in stark contrast to conventional sub micrometer scale polygonal, striped or bubble shaped magnetic domains found in magnetic materials, or the large dumbbell shaped domains produced in magnetic films irradiated with accelerator based relativistic electron beams. Through micromagnetic simulations, we show that the giant magnetic field pulses create ultrafast terahertz (THz) spin waves. A snapshot of these fast propagating spin waves is stored as the layered onion shell shaped domains in the YIG film. Typically, information transport via spin waves in magnonic devices occurs in the gigahertz (GHz) regime, where the devices are susceptible to thermal disturbances at room temperature. Our intense laser light pulse - YIG sandwich target combination, paves the way for room temperature table-top THz spin wave devices, which operate just above or in the range of the thermal noise floor. This dissipation-less device offers ultrafast control of spin information over distances of few hundreds of microns.",2008.09473v1 2020-08-29,Exploring a quantum-information-relevant magnonic material: Ultralow damping at low temperature in the organic ferrimagnet V[TCNE]x,"Quantum information science and engineering requires novel low-loss magnetic materials for magnon-based quantum-coherent operations. The search for low-loss magnetic materials, traditionally driven by applications in microwave electronics near room-temperature, has gained additional constraints from the need to operate at cryogenic temperatures for many applications in quantum information science and technology. Whereas yttrium iron garnet (YIG) has been the material of choice for decades, the emergence of molecule-based materials with robust magnetism and ultra-low damping has opened new avenues for exploration. Specifically, thin-films of vanadium tetracyanoethylene (V[TCNE]x) can be patterned into the multiple, connected structures needed for hybrid quantum elements and have shown room-temperature Gilbert damping ({\alpha} = 4 \times 10^-5) that rivals the intrinsic (bulk) damping otherwise seen only in highly-polished YIG spheres (far more challenging to integrate into arrays). Here, we present a comprehensive and systematic study of the low-temperature magnetization dynamics for V[TCNE]x thin films, with implications for their application in quantum systems. These studies reveal a temperature-driven, strain-dependent magnetic anisotropy that compensates the thin-film shape anisotropy, and the recovery of a magnetic resonance linewidth at 5 K that is comparable to room-temperature values (roughly 2 G at 9.4 GHz). We can account for these variations of the V[TCNE]x linewidth within the context of scattering from very dilute paramagnetic impurities, and anticipate additional linewidth narrowing as the temperature is further reduced.",2008.13061v3 2021-01-25,Long-range spin-wave propagation in transversely magnetized nano-scaled conduits,"Magnonics attracts increasing attention in the view of novel low-energy computation technologies based on spin waves. Recently, spin-wave propagation in longitudinally magnetized nano-scaled spin-wave conduits was demonstrated, proving the fundamental feasibility of magnonics at the sub-100 nm scale. Transversely magnetized nano-conduits, which are of great interest in this regard as they offer a large group velocity and a potentially chirality-based protected transport of energy, have not yet been investigated due to their complex internal magnetic field distribution. Here, we present a study of propagating spin waves in a transversely magnetized nanoscopic yttrium iron garnet conduit of 50 nm width. Space and time-resolved micro-focused Brillouin-light-scattering spectroscopy is employed to measure the spin-wave group velocity and decay length. A long-range spin-wave propagation is observed with a decay length of up to (8.0+-1.5) {\mu}m and a large spin-wave lifetime of up to (44.7+-9.1) ns. The results are supported with micromagnetic simulations, revealing a single-mode dispersion relation in contrast to the common formation of localized edge modes for microscopic systems. Furthermore, a frequency non-reciprocity for counter-propagating spin waves is observed in the simulations and the experiment, caused by the trapezoidal cross-section of the structure. The revealed long-distance spin-wave propagation on the nanoscale is particularly interesting for an application in spin-wave devices, allowing for long-distance transport of information in magnonic circuits, as well as novel low-energy device architectures.",2101.10192v1 2021-05-02,Steady state entanglement of distant nitrogen-vacancy centers in a coherent thermal magnon bath,"We investigate steady-state entanglement (SSE) between two nitrogen-vacancy (NV) centers in distant nanodiamonds on an ultrathin Yttrium Iron Garnet (YIG) strip. We determine the dephasing and dissipative interactions of the qubits with the quanta of spin waves (magnon bath) in the YIG depending on the qubit positions on the strip. We show that the magnon's dephasing effect can be eliminated, and we can transform the bath into a multimode displaced thermal state using external magnetic fields. Entanglement dynamics of the qubits in such a displaced thermal bath have been analyzed by deriving and solving the master equation. An additional electric field is considered to engineer the magnon dispersion relation at the band edge to control the Markovian character of the open system dynamics. We determine the optimum geometrical parameters of the system of distant qubits and the YIG strip to get SSE. Furthermore, parameter regimes for which the shared displaced magnon bath can sustain significant SSE against the local dephasing and decoherence of NV centers to their nuclear spin environments have been determined. Along with SSE, we investigate the steady-state coherence (SSC) and explain the physical mechanism of how delayed SSE appears following a rapid generation and sudden death of entanglement using the interplay of decoherence-free subspace states, system geometry, displacement of the thermal bath, and enhancement of the qubit dissipation near the magnon band edge. A non-monotonic relation between bath coherence and SSE is found, and critical coherence for maximum SSE is determined. Our results illuminate the efficient use of system geometry, band edge in bath spectrum, and reservoir coherence to engineer system-reservoir interactions for robust SSE and SSC.",2105.00519v2 2021-09-09,A low-power integrated magneto-optic modulator on silicon for cryogenic applications,"A fundamental challenge of the quantum revolution is to efficiently interface the quantum computing systems operating at cryogenic temperatures with room temperature electronics and media for high data-rate communication. Current approaches to control and readout of such cryogenic computing systems use electrical cables, which prevent scalability due to their large size, heat conduction, and limited bandwidth1. A more viable approach is to use optical fibers which allow high-capacity transmission and thermal isolation. A key component in implementing photonic datalinks is a cryogenic optical modulator for converting data from the electrical to the optical domain at high speed and with low power consumption, while operating at temperatures of 4 K or lower. Cryogenic modulators based on the electro-optic effect have been demonstrated in a variety of material platforms, however they are voltage driven components while superconducting circuits are current based, resulting in a large impedance mismatch. Here, we present the first demonstration of an integrated current-driven modulator based on the magneto-optic effect operating over a wide temperature range that extends down to less than 4 K. The modulator works at data rates up to 2 Gbps with energy consumption below 4 pJ/bit, and we show that this figure can be reduced to less than 40 fJ/bit with optimized design and fabrication. This modulator is a hybrid device, where a current-driven magneto-optically active crystal (cerium substituted yttrium iron garnet, or Ce:YIG) is bonded to a high-quality silicon microring resonator. Because of its potential for extremely low power consumption under cryogenic conditions, the class of magneto-optical modulators demonstrated here has the potential to enable efficient data links in large-scale systems for quantum information processing.",2109.04538v1 2022-10-15,Non-local magnon transconductance in extended magnetic insulating films.\\Part II: two-fluid behavior,"This review presents a comprehensive study of the spatial dispersion of propagating magnons electrically emitted in extended yttrium-iron garnet (YIG) films by the spin transfer effects across a YIG$\vert$Pt interface. Our goal is to provide a generic framework to describe the magnon transconductance inside magnetic films. We experimentally elucidate the relevant spectral contributions by studying the lateral decay of the magnon signal. While most of the injected magnons do not reach the collector, the propagating magnons can be split into two-fluids: \textit{i)} a large fraction of high-energy magnons carrying energy of about $k_B T_0$, where $T_0$ is the lattice temperature, with a characteristic decay length in the sub-micrometer range, and \textit{ii)} a small fraction of low-energy magnons, which are particles carrying energy of about $\hbar \omega_K$, where $\omega_K/(2 \pi)$ is the Kittel frequency, with a characteristic decay length in the micrometer range. Taking advantage of their different physical properties, the low-energy magnons can become the dominant fluid \textit{i)} at large spin transfer rates for the bias causing the emission of magnons, \textit{ii)} at large distance from the emitter, \textit{iii)} at small film thickness, or \textit{iv)} for reduced band mismatch between the YIG below the emitter and the bulk due to variation of the magnon concentration. This broader picture complements part I \cite{kohno_SD}, which focuses solely on the nonlinear transport properties of low-energy magnons.",2210.08283v2 2023-06-28,Degenerate and non-degenerate parametric excitation in YIG nanostructures,"We study experimentally the processes of parametric excitation in microscopic magnetically saturated disks of nanometer-thick Yttrium Iron Garnet. We show that, depending on the relative orientation between the parametric pumping field and the static magnetization, excitation of either degenerate or non-degenerate magnon pairs is possible. In the latter case, which is particularly important for applications associated with the realization of computation in the reciprocal space, a single-frequency pumping can generate pairs of magnons whose frequencies correspond to different eigenmodes of the disk. We show that, depending on the size of the disk and the modes involved, the frequency difference in a pair can vary in the range 0.1-0.8 GHz. We demonstrate that in this system, one can easily realize a practically important situation where several magnon pairs share the same mode. We also observe the simultaneous generation of up to six different modes using a fixed-frequency monochromatic pumping. Our experimental findings are supported by numerical calculations that allow us to unambiguously identify the excited modes. Our results open new possibilities for the implementation of reciprocal-space computing making use of low damping magnetic insulators.",2306.16094v1 2023-08-18,"Magnon Diffusion Length and Longitudinal Spin Seebeck Effect in Vanadium Tetracyanoethylene (V[TCNE]$_x$, $x \sim 2$)","Spintronic, spin caloritronic, and magnonic phenomena arise from complex interactions between charge, spin, and structural degrees of freedom that are challenging to model and even more difficult to predict. This situation is compounded by the relative scarcity of magnetically-ordered materials with relevant functionality, leaving the field strongly constrained to work with a handful of well-studied systems that do not encompass the full phase space of phenomenology predicted by fundamental theory. Here we present an important advance in this coupled theory-experiment challenge, wherein we extend existing theories of the spin Seebeck effect (SSE) to explicitly include the temperature-dependence of magnon non-conserving processes. This expanded theory quantitatively describes the low-temperature behavior of SSE signals previously measured in the mainstay material yttrium iron garnet (YIG) and predicts a new regime for magnonic and spintronic materials that have low saturation magnetization, $M_S$, and ultra-low damping. Finally, we validate this prediction by directly observing the spin Seebeck resistance (SSR) in the molecule-based ferrimagnetic semiconductor vanadium tetracyanoethylene (V[TCNE]$_x$, $x \sim 2$). These results validate the expanded theory, yielding SSR signals comparable in magnitude to YIG and extracted magnon diffusion length ($\lambda_m>1$ $\mu$ m) and magnon lifetime for V[TCNE]$_x$ ($\tau_{th}\approx 1-10$ $\mu$ s) exceeding YIG ($\tau_{th}\sim 10$ ns). Surprisingly, these properties persist to room temperature despite relatively low spin wave stiffness (exchange). This identification of a new regime for highly efficient SSE-active materials opens the door to a new class of magnetic materials for spintronic and magnonic applications.",2308.09752v1 2023-02-07,Sputtered terbium iron garnet films with perpendicular magnetic anisotropy for spintronic applications,"We report the structural, magnetic, and interfacial spin transport properties of epitaxial terbium iron garnet (TbIG) ultrathin films deposited by magnetron sputtering. High crystallinity was achieved by growing the films on gadolinium gallium garnet (GGG) substrates either at high temperature, or at room temperature followed by thermal annealing, above 750 {\deg}C in both cases. The films display large perpendicular magnetic anisotropy (PMA) induced by compressive strain, and tunable structural and magnetic properties through growth conditions or the substrate lattice parameter choice. The ferrimagnetic compensation temperature (TM) of selected TbIG films was measured through temperature-dependent anomalous Hall effect (AHE) in Pt/TbIG heterostructures. In the studied films, TM was found to be between 190-225 K, i.e., approximately 25-60 K lower than the bulk value, which is attributed to the combined action of Tb deficiency and oxygen vacancies in the garnet lattice evidenced by x-ray photoelectron spectroscopy measurements. Sputtered TbIG ultrathin films with large PMA and highly tunable properties reported here can provide a suitable material platform for a wide range of spintronic experiments and device applications.",2302.03758v1 2008-08-03,Superconductivity in Yttrium Iron Oxyarsenide System,"Iron-based oxypnictides substituted with yttrium have been prepared via a conventional solid state reaction. The product after first 50 hours of reaction showed diamagnetic-like transition at around 10 K but was not superconducting, while additional 72 hours of high temperature heat treatment was required to yield superconducting sample which was doped with fluoride. Temperature dependence of the susceptibility shows both screening and Meissner effect at around 10 K, while resistance as a function of temperature displayed a drop at around the same temperature.",0808.0288v2 2008-10-05,Electric Field Driven Magnetic Domain Wall Motion in Iron Garnet Film,"The dynamic observation of domain wall motion induced by electric field in magnetoelectric iron garnet film is reported. Measurements in 800 kV/cm electric field pulses gave the domain wall velocity ~45 m/s. Similar velocity was achieved in magnetic field pulse about 50 Oe. Reversible and irreversible micromagnetic structure transformation is demonstrated. These effects are promising for applications in spintronics and magnetic memory.",0810.0850v1 2015-05-27,Excitation of magnetic precession in bismuth iron garnet via a polarization-independent impulsive photomagnetic effect,"A polarization-independent, nonthermal optical effect on the magnetization in bismuth iron garnet is found, in addition to the circular polarization-dependent inverse Faraday effect and the linear polarization-dependent photoinduced magnetic anisotropy. Its impulsive character is demonstrated by the field dependence of the amplitude of the resulting precession, which cannot be explained by a long-living photo or heat-induced anisotropy.",1505.07447v1 2023-07-04,Phonon-induced magnetization dynamics in Co-doped iron garnets,"The developing field of strain-induced magnetization dynamics offers a promising path toward efficiently controlling spins and phase transitions. Understanding the underlying mechanisms is crucial in finding the optimal parameters supporting the phononic switching of magnetization. Here, we present an experimental and numerical study of time-resolved magnetization dynamics driven by the resonant excitation of an optical phonon mode in iron garnets. Upon pumping the latter with an infrared pulse obtained from a free-electron laser, we observe spatially-varying magnetization precession, with its phase depending on the direction of an external magnetic field. Our micromagnetic simulations effectively describe the magnetization precession and switching in terms of laser-induced changes in the crystal's magneto-elastic energy.",2307.01907v1 2022-06-30,Origin and dynamics of umbrella states in rare-earth iron garnets,"Rare-earth iron garnets $R_{3}$Fe$_{5}$O$_{12}$ are fascinating insulators with very diverse magnetic phases. Their strong potential in spintronic devices has encouraged a renewal of interest in the study of their low temperature spin structures and spin wave dynamics. A striking feature of rare-earth garnets with $R$-ions exhibiting strong crystal-field effects like Tb-, Dy-, Ho-, and Er-ions is the observation of low-temperature non-collinear magnetic structures featuring ""umbrella-like"" arrangements of the rare-earth magnetic moments. In this study, we demonstrate that such umbrella magnetic states are naturally emerging from the crystal-field anisotropies of the rare-earth ions. By means of a general model endowed with only the necessary elements from the crystal structure, we show how umbrella-like spin structures can take place and calculate the canting-angle as a result of the competition between the exchange-interaction of the rare-earth and the iron ions as well as the crystal-field anisotropy. Our results are compared to experimental data, and a study of the polarised spin wave dynamics is presented. Our study improves the understanding of umbrella-like spin structures and paves the way for more complex spin wave calculations in rare-earth iron garnets with non-collinear magnetic phases.",2207.00017v2 2021-04-11,Ultrafast Measurements of the Interfacial Spin Seebeck Effect in Au and Rare-Earth Iron Garnet Bilayers,"We investigate picosecond spin-currents across Au/iron-garnet interfaces in response to ultrafast laser heating of the electrons in the Au film. In the picoseconds after optical heating, interfacial spin currents occur due to an interfacial temperature difference between electrons in the metal and magnons in the insulator. We report measurements of this interfacial longitudinal spin Seebeck effect between Au and rare-earth iron-garnet insulators, i.e. RE$_3$ Fe$_5$O$_{12}$, where RE is Y, Eu, Tb, Tm. We use time domain thermoreflectance (TDTR) measurements to characterize the thermal response of the bilayer to ultrafast optical heating. We use time-resolved magneto-optic Kerr effect (TR-MOKE) measurements of the Au layer to measure the time-evolution of spin accumulation in the Au film. We observe a spin Seebeck effect between Au/TmIG that is three times larger than for an Au/YIG bilayer. The interfacial thermal conductance between electrons in the Au and magnons in the TmIG layer is ~ 3 $\frac{MW}{m^2 K}$.",2104.05075v2 2018-12-31,Systematic Control of Strain-Induced Perpendicular Magnetic Anisotropy in Epitaxial Europium and Terbium Iron Garnets Thin Films,"We show tunable strain-induced perpendicular magnetic anisotropy (PMA) over a wide range of thicknesses in epitaxial ferrimagnetic insulator Eu3Fe5O12 (EuIG) and Tb3Fe5O12 (TbIG) thin films grown by pulsed-laser deposition on Gd3Ga5O12 with (001) and (111) orientations, respectively. The PMA field is determined by measuring the induced anomalous Hall loops in Pt deposited on the garnet films. Due to positive magnetostriction constants, compressive in-plane strain induces a PMA field as large as 32.9 kOe for 4 nm thick EuIG and 66.7 kOe for 5 nm thick TbIG at 300 K, and relaxes extremely slowly as the garnet film thickness increases. In bilayers consisting of Pt and EuIG or Pt and TbIG, robust PMA is revealed by squared anomalous Hall hysteresis loops in Pt, the magnitude of which appears to be only related to the net magnetic moment of iron sublattices. Furthermore, the magnetostriction constant is found to be 2.7x10^(-5) for EuIG and 1.35x10^(-5) for TbIG, comparable with the values for bulk crystals. Our results demonstrate a general approach of tailoring magnetic anisotropy of rare earth iron garnets by utilizing modulated strain via epitaxial growth.",1812.11688v1 2019-02-16,Faraday-Rotation in Iron Garnet Films Beyond Elemental Substitutions,"In previous decades significant efforts have been devoted to increasing the magneto-optical efficiency of iron garnet materials for the miniaturization of nonreciprocal devices such as isolators and circulators. Elemental substitutions or proper nano-structuring to benefit from optical resonances have been pursued. However, all these approaches still require film thicknesses of at least several tens of microns to deliver useful device applications, and suffer from narrow bandwidths in the case of optical resonance effects. This Letter reports on a newly discovered enhancement of the Faraday Effect observed experimentally in nanoscale bismuth-substituted iron garnet films. It is shown here that this enhancement is not due to elemental substitution or compositional variations. Nor is it due to photon trapping or resonance effects. Comprehensive experimental and theoretical analysis of the Faraday rotation reveals a dramatic seven-fold amplification in the magneto-optic gyrotropy within only 2 nm of the air-surface interface, corresponding to just a couple of atomic monolayers as a result of symmetry-breaking at the air-film interface. This finding opens up an avenue to the application of monolayer magnetic garnets for the control of light.",1902.06112v1 2024-04-05,Nanometer thick magneto-optical iron garnet films,"Here we demonstrate nanometer thick iron garnet films suitable for the magneto-optical applica-tions. Bismuth-substituted iron garnet films of compositions Bi{_1}Y{_2}Fe{_5}O{_{12}} and Bi{_1}Tm{_2}Fe{_5}O{_{12}} deposited on gadolinium gallium garnet substrate are fabricated and characterized. Their thicknesses range from 2 to 10 nm, which corresponds to just a few crystal lattice constants. Faraday rotation of the nanofilms reaches 29.7 deg/{\mu}m at 420 nm which is comparable and even a bit better than single crystal micrometer thick films of similar composition. The film surface morphology by atomic force microscopy gives root mean square (RMS) roughness of the nanofilms as small as 0.13 nm that is also similar to the RMS of single crystal micrometer thick films. The Bi{_1}Tm{_2}Fe{_5}O{_{12}} films demonstrate effective uniaxial anisotropy. These all make the fabricated nanofilms very promising for their po-tential applications in magneto-optical devices and quantum technologies.",2404.04206v1 2004-10-14,YAG:Nd crystals as possible detector to search for double beta and alpha decay of neodymium,"Energy resolution, alpha/beta ratio, pulse-shape discrimination for gamma rays and alpha particles, radioactive contamination were studied with neodymium doped yttrium-aluminum garnet (YAG:Nd). Applicability of YAG:Nd scintillators to search for double beta decay and alpha activity of natural neodymium isotopes are discussed.",0410021v1 2008-04-16,On the solubility of Nd3+ in Y3Al5O12,"Neodymium doped yttrium aluminum garnet powders (Nd:YAG or (Y{1-x}Nd{x})3Al5O12, x=0.15, 0.25, or 0.30, respectively) were prepared by a sol-gel technique. By DTA measurements up to 2000 deg C eutectic and liquidus temperatures could be determined. Exothermal peaks in the second and subsequent DTA heating runs indicate that the crystallized DTA samples are not in equilibrium. The section Y3Al5O12-Nd3Al5O12 of the concentration triangle Al2O3-Nd2O3-Y2O3 is proposed on the basis of thermodynamic calculations that allows to explain the experimental results by the balance of metastable phase states in the previously crystallized DTA samples.",0804.2545v1 2009-11-17,Light storage protocols in Tm:YAG,"We present two quantum memory protocols for solids: A stopped light approach based on spectral hole burning and the storage in an atomic frequency comb. These procedures are well adapted to the rare-earth ion doped crystals. We carefully clarify the critical steps of both. On one side, we show that the slowing-down due to hole-burning is sufficient to produce a complete mapping of field into the atomic system. On the other side, we explain the storage and retrieval mechanism of the Atomic Frequency Comb protocol. This two important stages are implemented experimentally in Tm$^{3+}$- doped yttrium-aluminum-garnet crystal.",0911.3328v1 2017-10-04,Super-resolution microscopy of single rare-earth emitters,"We demonstrate super-resolution imaging of single rare-earth emitting centers, namely, trivalent cerium, in yttrium aluminum garnet (YAG) crystals by means of stimulated emission depletion (STED) microscopy. The achieved all-optical resolution is $\approx$ 80nm. Similar results were obtained on H3 color centers in diamond with resolution of $\approx$ 60nm. In both cases, STED resolution is improving slower than the inverse square-root of the depletion beam intensity. This is caused by excited state absorption (ESA) and interaction of the emitter with non-fluorescing crystal defects in its near surrounding.",1710.01680v1 2022-10-10,Quadratic Zeeman Spectral Diffusion of Thulium Ion Population in a Yttrium Gallium Garnet Crystal,"The creation of well understood structures using spectral hole burning is an important task in the use of technologies based on rare earth ion doped crystals. We apply a series of different techniques to model and improve the frequency dependent population change in the atomic level structure of Thulium Yttrium Gallium Garnet (Tm:YGG). In particular we demonstrate that at zero applied magnetic field, numerical solutions to frequency dependent three-level rate equations show good agreement with spectral hole burning results. This allows predicting spectral structures given a specific hole burning sequence, the underpinning spectroscopic material properties, and the relevant laser parameters. This enables us to largely eliminate power dependent hole broadening through the use of adiabatic hole-burning pulses. Though this system of rate equations shows good agreement at zero field, the addition of a magnetic field results in unexpected spectral diffusion proportional to the induced Tm ion magnetic dipole moment and average magnetic field strength, which, through the quadratic Zeeman effect, dominates the optical spectrum over long time scales. Our results allow optimization of the preparation process for spectral structures in a large variety of rare earth ion doped materials for quantum memories and other applications.",2210.05005v1 2023-01-12,Energetics of point defects in yttrium aluminum garnet doped with Mg and Si,"An influence of Mg and Si dopants on the formation energies and the concentration of point defects in yttrium aluminum garnet (YAG) is studied using the density functional approach. The formation energies of Mg and Si substitutional and interstitial defects, native point defects and defect complexes versus the oxygen chemical potential are obtained. It is shown that in YAG doped with Mg, negatively charged Mg substitutional defects are compensated by free carriers (holes) and positively charged oxygen vacancies, whereas interstitial Mg ions play a minor role. The concentration of oxygen vacancies increases under an increase in the concentration of Mg ions. In YAG doped with Si, positively charged Si substitutional defects are compensated by negatively changed isolated cation vacancies and complexes of Si ions and cation vacancies. Under an increase in the concentration of Si ions most of Al and Y vacancies bind in complexes with Si ions. As a result, the concentration of isolated cation vacancies depends nonmonotonically on the concentration of Si ions. The maximum of the concentration of isolated cation vacancies is reached at $0.02 - 0.04$ at. % of Si, depending on sintering conditions. Mg - Si complexes have very low formation energies. Due to formation of such complexes, Si and Mg increases the solubility of each other in YAG. At the same time Mg - Si complexes do not influence the concentration of anion and cation vacancies. The overall concentration of vacancies in YAG codoped with Mg and Si in equal atomic concentrations is low. At an excess concentration of Si or Mg the concentration of vacancies increases by orders of magnitude.",2301.05170v2 2007-01-17,Gadolinium Iron Garnet as a Solid State Material for an Electron Electric Dipole Moment Search,"The possibility of a solid state electron electric dipole moment (EDM) experiment based on Gadolinium Iron Garnet (GdIG) is investigated. GdIG appears to exhibit superparamagnetism and this effect can be used to enhance the electric-field-induced EDM signal at relatively a high temperatures, as compared to a simple paramagnetic system such as Gadolinium Gallium Garnet. The sensitivity of a GdIG based experiment might be large enough that an improvement by over three orders of magnitude, compared to the existing electron EDM limit, could be obtained at a modest temperature of 4 K, assuming that the superparamagnetic effect is not suppressed at this temperature, and that the spin relaxation time remains sufficiently rapid.",0701198v2 2021-11-30,First and second order magnetic anisotropy and damping of europium iron garnet under high strain,"Understanding and tailoring static and dynamic properties of magnetic insulator thin films is important for spintronic device applications. Here, we grow atomically flat epitaxial europium iron garnet (EuIG) thin films by pulsed laser deposition on (111)-oriented garnet substrates with a range of lattice parameters. By controlling the lattice mismatch between EuIG and the substrates, we tune the strain in EuIG films from compressive to tensile regime, which is characterized by X-ray diffraction. Using ferromagnetic resonance, we find that in addition to the first-order perpendicular magnetic anisotropy which depends linearly on the strain, there is a significant second-order one that has a quadratic strain dependence. Inhomogeneous linewidth of the ferromagnetic resonance increases notably with increasing strain, while the Gilbert damping parameter remains nearly constant (~ 2x10^-2). These results provide valuable insight into the spin dynamics in ferrimagnetic insulators and useful guidance for material synthesis and engineering of next-generation spintronics applications.",2111.15142v1 2023-04-21,Magnetic Structures and Spin-wave Excitations in Rare-Earth Iron Garnets near the Compensation Temperature,"We introduce a simple model for the ferrimagnetic non-collinear ``magnetic umbrella"" states of rare-earth iron garnets (REIG), common when the rare-earth moments have non-zero orbital angular momentum. The spin-wave excitations are calculated within linear spin wave theory and temperature effects via mean-field theory. This could be used to determine the magnetic polarization of each mode and thereby the spin currents generated by thermal excitations including the effects of mixed chirality. The spectra reproduce essential features seen in more complete models, with hybridization between the rare earth crystal field excitations and the propagating mode on the iron moments. By the symmetry of the model, only one rare earth mode hybridizes, inducing a gap at zero wave number and level repulsion at finite frequency. At the compensation point, the hybridization gap closes and finally, as we approach the N\'eel temperature, the hybridization gap appears to reopen. The chirality of the lowest mode changes its sign around the frequency at which the level repulsion occurs. This is important to estimate the spin current generation in REIGs.",2304.10695v1 2018-09-12,Topological insulator Bi2Se3 films on rare earth iron garnets and their high-quality interfaces,"The integration of quantum materials like topological insulators (TIs) with magnetic insulators (MIs) has important technological implications for spintronics and quantum computing. Here we report excellent crystallinity of c-axis oriented epitaxial TI films Bi2Se3 grown on MI films, a rare earth iron garnet (ReIG), such as thulium iron garnet (Tm3Fe5O12, TmIG) by molecular beam epitaxy (MBE) with a Se-buffered low-temperature (SBLT) growth technique. We demonstrated a streaky reflection high-energy electron diffraction pattern starting from the very first quintuple layer of Bi2Se3, indicating the high-quality interface between TmIG and Bi2Se3, a prerequisite for studying interfacial exchange coupling effects. The strong interfacial exchange interaction was manifested by observations of anomalous Hall effect in the Bi2Se3/TmIG bilayer and a shift of ferromagnetic resonance field of TmIG induced by Bi2Se3. We have reproducibly grown high-quality Bi2Se3/ReIG and interfaces using this new TI growth method, which may be applied to grow other types of van der Waals (vdW) hetero-structures.",1809.04513v1 2023-10-09,Mapping of Spin-Wave Transport in Thulium Iron Garnet Thin Films Using Diamond Quantum Microscopy,"Spin waves, collective dynamic magnetic excitations, offer crucial insights into magnetic material properties. Rare-earth iron garnets offer an ideal spin-wave (SW) platform with long propagation length, short wavelength, gigahertz frequency, and applicability to magnon spintronic platforms. Of particular interest, thulium iron garnet (TmIG) has attracted a huge interest recently due to its successful growth down to a few nanometers, observed topological Hall effect and spin orbit torque-induced switching effects. However, there is no direct spatial measurement of its SW properties. This work uses diamond nitrogen vacancy (NV) magnetometry in combination with SW electrical transmission spectroscopy to study SW transport properties in TmIG thin films. NV magnetometry allows probing spin waves at the sub-micrometer scale, seen by the amplification of the local microwave magnetic field due to the coupling of NV spin qubits with the stray magnetic field produced by the microwave-excited spin waves. By monitoring the NV spin resonances, the SW properties in TmIG thin films are measured as function of the applied magnetic field, including their amplitude, decay length (~ 50 um), and wavelength (0.8 - 2 um). These results pave the way for studying spin qubit-magnon interactions in rare-earth magnetic insulators, relevant to quantum magnonics applications.",2310.06188v4 2013-05-08,Barium and Yttrium abundance in intermediate-age and old open clusters,"Barium is a neutron capture element, that, in open clusters, is frequently over-abundant with respect to the Iron. A clear explanation for this is still missing. Additionally, its gradient across the Galactic disk is poorly constrained. We measure the abundance of yttrium and barium using the synthetic spectrum method from UVES high-resolution spectra of eight distant open clusters, namely Ruprecht 4, Ruprecht 7, Berkeley 25, Berkeley 73, Berkeley 75, NGC 6192, NGC 6404, and NGC 6583. The barium abundance was estimated using NLTE approximation. We confirm that Barium is indeed over-abundant in most clusters, especially young clusters. Finally, we investigated the trend of yttrium and barium abundances as a function of distance in the Galaxy and ages. Several scenarios for the barium over-abundance are then discussed.",1305.1909v1 2013-10-08,Mechanism for Radiation Damage Resistance in Yttrium Oxide Dispersion Strengthened Steels,"ODS steels based on yttrium oxide have been suggested as potential fusion reactor wall materials due to their observed radiation resistance properties. Presumably this radiation resistance can be related to the interaction of the particle with vacancies,self-interstitial atoms (SIAs) and other radiation damage debris. Density functional theory has been used to investigate this at the atomic scale. Four distinct interfaces, some based on HRTEM observations, between iron and yttrium oxide were investigated. It is been shown that the Y$_2$O$_3$-Fe interface acts as a strong trap with long-range attraction for both interstitial and vacancy defects, allowing recombination without altering the interface structure. The catalytic elimination of defects without change to the microstructure explains the improved behaviour of ODS steels with respect to radiation creep and swelling.",1310.2061v1 2018-05-05,Selection Rules for All-Optical Magnetic Recording in Iron Garnet,"Finding an electronic transition a subtle excitation of which can launch dramatic changes of electric, optical or magnetic properties of media is one of the long-standing dreams in the field of photo-induced phase transitions [1-5]. Therefore the discovery of the magnetization switching only by a femtosecond laser pulse [6-10] triggered intense discussions about mechanisms responsible for these laser-induced changes. Here we report the experimentally revealed selection rules on polarization and wavelengths of ultrafast photo-magnetic recording in Co-doped garnet film and identify the workspace of the parameters (magnetic damping, wavelength and polarization of light) allowing this effect. The all-optical magnetic switching under both single pulse and multiple-pulse sequences can be achieved at room temperature, in narrow spectral ranges with light polarized either along <110> or <100> crystallographic axes of the garnet. The revealed selection rules indicate that the excitations responsible for the coupling of light to spins are d-electron transitions in octahedral and tetrahedral Co-sublattices, respectively.",1805.02021v1 2002-10-25,Anisotropic and incommensurate spin fluctuations in hcp iron and some other nearly magnetic metals,"We present an ab initio theoretical formalism for the static paramagnetic spin susceptibility of metals at finite temperatures. Since relativistic effects, e.g. spin-orbit coupling, are included, we can identify the anisotropy or easy axes of the spin fluctuations. Our calculations find hcp-iron to be unstable to in ab-plane, incommensurate anti-ferromagnetic (AFM) modes (linked to nested Fermi surface) below T_N =69K for the lowest pressures under which it is stable. T_N swiftly drops to zero as the pressure is increased. The calculated susceptibility of yttrium is consistent with the helical, incommensurate AFM order found in many rare-earth-dilute yttrium alloys. Lastly, in line with experimental data, we find the easy axes of the incommensurate AFM and ferromagnetic spin fluctuations of the normal state of the triplet superconductor Sr2RuO4 to be perpendicular and parallel with the crystal c-axis resepctively.",0210581v1 2014-01-27,Prospects for electron spin-dependent short-range force experiments with rare earth iron garnet test masses,"A study of the possible interactions between fermions assuming only rotational invariance has revealed 15 forms for the potential involving the fermion spins. We review the experimental constraints on unobserved macroscopic, spin-dependent interactions between electrons in the range below 1 cm. An existing experiment, using 1 kHz mechanical oscillators as test masses, has been used to constrain mass-coupled forces in this range. With suitable modifications, including spin-polarized test masses, this experiment can be used to explore all 15 possible spin-dependent interactions between electrons in this range with unprecedented sensitivity. Samples of ferrimagnetic dysprosium iron garnet have been fabricated in the suitable test mass geometry and shown to have high spin density with very low intrinsic magnetism.",1401.6730v2 2016-09-15,Low-damping sub-10-nm thin films of lutetium iron garnet grown by molecular-beam epitaxy,"We analyze the structural and magnetic characteristics of (111)-oriented lutetium iron garnet (Lu$_3$Fe$_5$O$_{12}$) films grown by molecular-beam epitaxy, for films as thin as 2.8 nm. Thickness-dependent measurements of the in- and out-of-plane ferromagnetic resonance allow us to quantify the effects of two-magnon scattering, along with the surface anisotropy and the saturation magnetization. We achieve effective damping coefficients of $11.1(9) \times 10^{-4}$ for 5.3 nm films and $32(3) \times 10^{-4}$ for 2.8 nm films, among the lowest values reported to date for any insulating ferrimagnetic sample of comparable thickness.",1609.04753v1 2017-06-26,Perpendicular magnetic anisotropy in insulating ferrimagnetic gadolinium iron garnet thin films,"We present experimental control of the magnetic anisotropy in a gadolinium iron garnet (GdIG) thin film from in-plane to perpendicular anisotropy by simply changing the sample temperature. The magnetic hysteresis loops obtained by SQUID magnetometry measurements unambiguously reveal a change of the magnetically easy axis from out-of-plane to in-plane depending on the sample temperature. Additionally, we confirm these findings by the use of temperature dependent broadband ferromagnetic resonance spectroscopy (FMR). In order to determine the effective magnetization, we utilize the intrinsic advantage of FMR spectroscopy which allows to determine the magnetic anisotropy independent of the paramagnetic substrate, while magnetometry determines the combined magnetic moment from film and substrate. This enables us to quantitatively evaluate the anisotropy and the smooth transition from in-plane to perpendicular magnetic anisotropy. Furthermore, we derive the temperature dependent $g$-factor and the Gilbert damping of the GdIG thin film.",1706.08488v1 2018-02-13,Excitation of coherent optical phonons in iron garnet by femtosecond laser pulses,"We employed femtosecond pump probe technique to investigate the dynamics of coherent optical phonons in iron garnet. A phenomenological symmetry-based consideration reveals that oscillations of the terahertz T2g mode are excited. Selective excitation by a linearly polarized pump and detection by a circularly polarized probe confirm that impulsive stimulated Raman scattering (ISRS) is the driving force for the coherent phonons. Experimental results obtained from ISRS measurements reveal excellent agreement with spontaneous Raman spectroscopy data, analyzed by considering the symmetry of the phonon modes and corresponding excitation and detection selection rules.",1802.04515v3 2018-06-01,Optical determination of the exchange stiffness constant in an iron garnet,"Brillouin light scattering measurements were performed in the backscattering geometry on a Bi-substituted rare earth iron garnet. We observed two different peaks, one attributed to a surface spin wave in the dipole-exchange regime. The other is referred to as a backscattering magnon mode, because the incident light in this case is scattered backward by exchange-dominated spin wave inside the material. We propose a method to estimate the exchange stiffness constant from the frequency of the backscattering magnon mode. The obtained value is comparable with the previously reported values for Y$ _3 $Fe$ _5 $O$ _{12} $.",1806.00228v2 2020-09-25,Experimental search for an exotic spin-spin-velocity-dependent interaction using an optically polarized vapor and a rare-earth iron garnet,"We report an experimental search for an exotic spin-spin-velocity-dependent interaction between polarized electrons of Rb atoms and polarized electrons of a solid-state mass, violating both the time-reversal and parity symmetries. This search targets a minute effective magnetic field induced by the interaction. A spin-exchange relaxation-free (SERF) magnetometer based on an optically polarized Rb vapor is the key element for both a source of polarized electrons and a high-sensitivity detector. A dysprosium iron garnet (DyIG) serves as the polarized mass, with an extremely small magnetization at the critical temperature around 240 K and a high spin density. To reduce the magnetization, one of major systematic effects, a home-built cooling system controls the mass temperature. To our knowledge, this is the first search for an exotic spin-dependent interaction using the compensated ferrimagnet DyIG as a polarized mass. The experiment set the most stringent limit on the electron-electron coupling strength in the centimeter interaction range, in particular $g_V^e g_V^e <10^{4}$ at $\lambda=2$ cm.",2009.12292v2 2021-03-03,THz Field-induced Spin Dynamics in Ferrimagnetic Iron Garnets,"THz magnetization dynamics is excited in ferrimagnetic thulium iron garnet with a picosecond, single-cycle magnetic field pulse and seen as a high-frequency modulation of the magneto-optical Faraday effect. Data analysis combined with numerical modelling and evaluation of the effective Lagrangian allow us to conclude that the dynamics corresponds to the exchange mode excited by Zeeman interaction of the THz field with the antiferromagnetically coupled spins. We argue that THz-pump IR-probe experiments on ferrimagnets offer a unique tool for quantitative studies of dynamics and mechanisms to control antiferromagnetically coupled spins.",2103.02449v1 2021-08-16,Magneto-optics of the 2D iron-garnet nanocylinder array with localized and lattice modes,"We experimentally show the enhancement of the Faraday and transverse magneto-optical Kerr effects in the two-dimensional arrays of nanocylinders made of bismuth-substituted iron-garnet and supporting both localized and lattice modes. Simultaneous excitation of these modes makes it possible to increase the Faraday rotation by 3 times and TMOKE by an order of magnitude compared to the smooth magnetic film of the equal effective thickness. Both magneto-optical effects are enhanced in wide spectral and angular ranges making the nanocylinder array magnetic dielectric structures promising for applications with short and tightly-focused laser pulses.",2108.07056v2 2023-12-27,Sublattice-selective inverse Faraday effect in ferrimagnetic rare-earth iron garnet,"We performed time-resolved pump--probe measurements using rare-earth iron garnet \ce{Gd3/2Yb1/2BiFe5O12} as a two-sublattice ferrimagnet. We measured the initial phases of the magnetic resonance modes below and above the magnetization compensation temperature to clarify the sublattice selectivity of the inverse Faraday effect in ferrimagnets. A comparison of the time evolution of magnetization estimated using the equations of motion revealed that the inverse Faraday effect occurring in ferrimagnetic materials has sublattice selectivity. This is in striking contrast to antiferromagnets, in which the inverse Faraday effect acts on each sublattice identically. The initial phase analysis can be applied to other ferrimagnets with compensation temperatures.",2312.16553v1 2015-05-05,Band-gap and Band-edge Engineering of Multicomponent Garnet Scintillators: A First-principles Study,"Complex doping schemes in RE$_3$Al$_5$O$_{12}$ (RE=rare earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band-gap was altered in a manner that facilitated the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density functional theory was used to survey potential admixing candidates that modify either the conduction band minimum (CBM) or valence band maximum (VBM). We considered two sets of compositions based on Lu$_3$B$_5$O$_{12}$ where B = Al, Ga, In, As, and Sb; and RE$_3$Al$_5$O$_{12}$, where RE = Lu, Gd, Dy, and Er. We found that admixing with various RE cations does not appreciably effect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. This approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.",1505.01218v1 2012-08-12,Experimental demonstration of a dual-frequency laser free from anti-phase noise,"A reduction of more than 20 dB of the intensity noise at the anti-phase relaxation oscillation frequency is experimentally demonstrated in a two-polarization dual-frequency solid-state laser without any optical or electronic feedback loop. Such a behavior is inherently obtained by aligning the two orthogonally polarized oscillating modes with the crystallographic axes of a (100)-cut neodymium-doped yttrium aluminum garnet active medium. The anti-phase noise level is shown to increase as soon as one departs from this peculiar configuration, evidencing the predominant role of the nonlinear coupling constant. This experimental demonstration opens new perspectives on the design and realization of extremely low noise dual-frequency solid-state lasers.",1208.2454v1 2013-01-22,Mapping spin coherence of a single rare-earth ion in a crystal onto a single photon polarization state,"We report on optical detection of a single photostable Ce3+ ion in an yttrium aluminium garnet (YAG) crystal and on its magneto-optical properties at room temperature. The quantum state of an electron spin of the emitting level of cerium ion in YAG can be initialized by circularly polarized laser pulse. Furthermore, its quantum state can be read out by observing temporal behaviour of circularly polarized fluorescence of the ion. This implies direct mapping of the spin quantum state of Ce3+ ion onto the polarization state of the emitted photon and represents one-way quantum interface between a single spin and a single photon.",1301.5215v1 2014-11-29,Evidence of Dilute Ferromagnetism in Rare-Earth doped YAG,"This work demonstrates strong coupling regime between an Erbium ion spin ensemble and microwave Hybrid Cavity-Whispering Gallery Modes in a Yttrium Aluminium Garnet dielectric crystal. Coupling strengths of $220$~MHz and mode quality factors in excess of $10^6$ are demonstrated. Moreover, the magnetic response of high-Q modes demonstrates behaviour which is unusual for paramagnetic systems. This behaviour includes hysteresis and memory effects. Such qualitative change of the system's magnetic field response is interpreted as a phase transition of Rare Earth ion impurities. This phenomenon is similar to the phenomenon of dilute ferromagnetism in semiconductors. The clear temperature dependence of the phenomenon is demonstrated.",1412.0086v3 2015-05-07,All-optical preparation of coherent dark states of a single rare earth ion spin in a crystal,"All-optical addressing and control of single solid-state based qubits allows for scalable architectures of quantum devices such as quantum networks and quantum simulators. So far, all-optical addressing of qubits was demonstrated only for color centers in diamond and quantum dots. Here, we demonstrate generation of coherent dark state of a single rare earth ion in a solid, namely a cerium ion in yttrium aluminum garnet (YAG). The dark state was formed under the condition of coherent population trapping. Furthermore, high-resolution spectroscopic studies of native and implanted single Ce ions have been performed. They revealed narrow and spectrally stable optical transitions between the spin sublevels of the ground and excited optical states, indicating the feasibility of interfacing single photons with a single electron spin of a cerium ion.",1505.01673v2 2017-04-12,High Precision Energy Measurements from the Analysis of Wide Spectral Features. Application to the fluorescence of YAG:Ce3+,"Advantage is taken of a complete and precise experimental study of the luminescent properties of yttrium aluminium garnet doped with Ce, previously accomplished by other authors, to confirm the accuracy of the invoked theoretical methods for dealing with the realistic calculation of the electromagnetic spectra of condensed phases. The fluorescent spectra at T=0 and T=250 K of YAG:Ce(3+) were calculated with no adjustable parameter, giving complete agreement with experiment. The energy released by the electronic transitions was determined with precision better than 5\% the full width at half maximum of the spectral features. Thermal quenching of the fluorescent yield is discussed and calculated in a less accurate way, but anyway showing good agreement with experiment.",1704.04120v1 2017-06-27,Optical and spin properties of a single praseodymium ion in a crystal,"The investigation of single atoms in solids, with both optical and nuclear spin access is of particularly interest with applications ranging from nanoscale sensing to quantum computation. Here, we study the optical and spin properties of single praseodymium ions in an yttrium aluminum garnet (YAG) crystal at cryogenic temperature. The single nuclear spin of single praseodymium ions is detected through a background-free optical upconverting readout technique. Single ions show stable photoluminescence (PLE) with spectrally resolved hyperfine splitting of the praseodymium ground state. Based on this measurement, optical Rabi and optically detected magnetic resonance (ODMR) measurements are performed to study the spin coherence properties. Our results reveal that the spin coherence time of single praseodymium nuclear spins is limited by the strong spin-phonon coupling at experimental temperature.",1706.08736v2 2019-04-17,Three-dimensional femtosecond laser nanolithography of crystals,"Nanostructuring hard optical crystals has so far been exclusively feasible at their surface, as stress induced crack formation and propagation has rendered high precision volume processes ineffective. We show that the inner chemical etching reactivity of a crystal can be enhanced at the nanoscale by more than five orders of magnitude by means of direct laser writing. The process allows to produce cm-scale arbitrary three-dimensional nanostructures with 100 nm feature sizes inside large crystals in absence of brittle fracture. To showcase the unique potential of the technique, we fabricate photonic structures such as sub-wavelength diffraction gratings and nanostructured optical waveguides capable of sustaining sub-wavelength propagating modes inside yttrium aluminum garnet crystals. This technique could enable the transfer of concepts from nanophotonics to the fields of solid state lasers and crystal optics.",1904.08264v1 2019-10-15,"Generation of 3 mJ, 44 fs, 2.5 micrometer pulses from a single-stage Cr2+:ZnSe amplifier","Lasers capable of generating attosecond X-ray pulses in the water window (282 to 533 eV) through high-order harmonic generation are normally based on inefficient, multi-stage optical parametric amplifiers or optical parametric chirped pulse amplifiers pumped by femtosecond or picosecond lasers. Here we report a very efficient single amplification stage laser based on traditional chirped pulse amplification capable of producing 3 mJ, near-transform limited 44 fs (<6 cycles), 1 kHz pulses centered at 2.5 micrometer. The 68 GW peak power is the highest value ever reached at this wavelength. In order to fully compress the laser pulses our system is built in a nitrogen box. Our system utilizes water cooled chromium doped zinc selenide (Cr2+:ZnSe) as the gain medium and is pumped by a commercial nanosecond holmium doped yttrium-aluminum-garnet (Ho:YAG) laser.",1910.06650v1 2020-08-13,Luminescence quenching via deep defect states: A recombination pathway via oxygen vacancies in Ce-doped YAG,"Luminescence quenching via non-radiative recombination channels limits the efficiency of optical materials such as phosphors and scintillators and therefore has implications for conversion efficiency and device lifetimes. In materials such as Ce-doped yttrium aluminum garnet (YAG:Ce), quenching shows a strong dependence on both temperature and activator concentration, limiting the ability to fabricate high-intensity white-light emitting diodes with high operating temperatures. Here, we reveal by means of first-principles calculations an efficient recombination mechanism in YAG:Ce that involves oxygen vacancies and gives rise to thermally activated concentration quenching. We demonstrate that the key requirements for this mechanism to be active are localized states with strong electron-phonon coupling. These conditions are commonly found for intrinsic defects such as anion vacancies in wide band-gap materials. The present findings are therefore relevant to a broad class of optical materials and shine light on thermal quenching mechanisms in general.",2008.05830v2 2021-08-02,Spin Wave Computing using pre-recorded magnetization patterns,"We propose a novel type of a spin wave computing device, based on a bilayer structure which includes a bias layer, made from a hard magnetic material and a propagation layer, made from a magnetic material with low damping, for example, Yttrium Garnet (YiG) or Permalloy. The bias layer maintains a stable pre-recorded magnetization pattern, generating a bias field with a desired spatial dependence, which in turn sets the equilibrium magnetization inside the propagation layer. When an external source applies an RF field or spinwave to the propagation layer, excited spin waves scatter on the magnetization's inhomogenuities, resulting in a complex interference behavior. One thus has the ability to adjust spin wave propagation properties simply by altering the magnetization in the bias layer. We demonstrate that the phenomenon can be utilized to perform a variety of computational operations, including Fourier Transform, Vector-Matrix multiplication and Grover search algorithm, with the operational parameters exceeding conventional designs by orders of magnitude.",2108.00909v1 2021-10-14,Ultrafast photonic rainbow with controllable orbital angular momentum,"Increasing any degree of freedom of light beam may open a wide application area of this special light beam. Vortex beam with a dimension of orbital angular momentum (OAM) as a useful light source has been widely applied in many fields. Here, unique multicolor concentric ultrafast vortex beams (MUCU-VBs), which are also named ultrafast photonic rainbow, with controllable orbital angular momentum are firstly generated using cascaded four-wave mixing (CFWM) in an yttrium aluminum garnet (YAG) plate. Up to 9 multicolor concentric annular ultrafast vortex sidebands are generated simultaneously. The topological charges of the sidebands, which are controllable by changing the topological charges of the two input pump beams, are measured and in according with the theoretical analysis very well. The novel MUCU-VBs can be manipulated simultaneously in temporal, spatial, spectral domains and OAM state, which open more than one new degree of freedoms of vortex light beam and will be of wide and special applications, such as multicolor pump-probe experiments, simultaneous microparticle manipulation and exploring, and optical communication. Moreover, the special focusing properties of the multicolor ultrafast sidebands, such as multi-focus of different wavelengths, may further extend their application area.",2110.07228v1 2020-09-22,Magnon-mediated spin currents in Tm3Fe5O12/Pt with perpendicular magnetic anisotropy,"The control of pure spin currents carried by magnons in magnetic insulator (MI) garnet films with a robust perpendicular magnetic anisotropy (PMA) is of great interest to spintronic technology as they can be used to carry, transport and process information. Garnet films with PMA present labyrinth domain magnetic structures that enrich the magnetization dynamics, and could be employed in more efficient wave-based logic and memory computing devices. In MI/NM bilayers, where NM being a normal metal providing a strong spin-orbit coupling, the PMA benefits the spin-orbit torque (SOT) driven magnetization's switching by lowering the needed current and rendering the process faster, crucial for developing magnetic random-access memories (SOT-MRAM). In this work, we investigated the magnetic anisotropies in thulium iron garnet (TIG) films with PMA via ferromagnetic resonance measurements, followed by the excitation and detection of magnon-mediated pure spin currents in TIG/Pt driven by microwaves and heat currents. TIG films presented a Gilbert damping constant {\alpha}~0.01, with resonance fields above 3.5 kOe and half linewidths broader than 60 Oe, at 300 K and 9.5 GHz. The spin-to-charge current conversion through TIG/Pt was observed as a micro-voltage generated at the edges of the Pt film. The obtained spin Seebeck coefficient was 0.54 {\mu}V/K, confirming also the high interfacial spin transparency.",2009.10299v1 2023-02-01,Temperature-independent ferromagnetic resonance shift in Bi-doped YIG garnets through magnetic anisotropy tuning,"Thin garnet films are becoming central for magnon-spintronics and spin-orbitronics devices as they show versatile magnetic properties together with low magnetic losses. These fields would benefit from materials in which heat does not affect the magnetization dynamics, an effect known as the non-linear thermal frequency shift. In this study, low damping Bi substituted Iron garnet (Bi:YIG) ultra-thin films have been grown using Pulsed Laser Deposition. Through a fine tuning of the growth parameters, the precise control of the perpendicular magnetic anisotropy allows to achieve a full compensation of the dipolar magnetic anisotropy. Strikingly, once the growth conditions are optimized, varying the growth temperature from 405 {\deg}C to 475 {\deg}C as the only tuning parameter induces the easy-axis to go from out-of-plane to in-plane. For films that are close to the dipolar compensation, Ferromagnetic Resonance measurements yield an effective magnetization $\mu _{0}M_{eff} (T)$ that has almost no temperature dependence over a large temperature range (260 K to 400 K) resulting in an anisotropy temperature exponent of 2. These findings put Bi:YIG system among the very few materials in which the temperature dependence of the magnetic anisotropy varies at the same rate than the saturation magnetization. This interesting behavior is ascribed phenomenologically to the sizable orbital moment of $Bi^{3+}$.",2302.00585v1 2017-07-15,Structural and magnetic properties of lightly doped M-type hexaferrites,"Vanadium substituted SrM hexaferrites (SrFe12-xVxO19 with x = 0.2, 0.4) and Eu-substituted BaM hexaferrite (Ba0.8Eu0.2Fe12O19) were prepared by high energy ball milling and sintering at 1200{\deg} C. X-ray diffraction measurements revealed that the V-substituted SrM samples exhibited phase separation resulting in the coexistence of the pure SrM magnetic phase with nonmagnetic Sr3(VO4)2 vanadate and {\alpha}-Fe2O3 iron oxide phase. Also, the Eu-substituted BaM hexaferrite revealed the formation of the pure BaM phase coexisting with {\alpha}-Fe2O3 secondary phase, and Eu-garnet minor phase. Although the magnetic properties of the samples deteriorated with respect to pure hexaferrite properties, the magnetic parameters of the substituted samples were found to be of potential importance for practical applications. Further, the results of the study suggest methods for the preparation of high quality SrM hexaferrites, and hexaferrite/garnet composites.",1707.04709v1 2020-03-11,Excitation and relaxation dynamics of spin-waves triggered by ultrafast photo-induced demagnetization in a ferrimagnetic insulator,"Excitation and propagation dynamics of spin waves in an iron-based garnet film under out-of-plane magnetic field were investigated by time-resolved magneto-optical imaging. The experimental results and the following data analysis by phase-resolved spin-wave tomography reveal the excitation of spin waves triggered by photo-induced demagnetization (PID) along the sample depth direction. Moreover, the fast relaxation of PID accompanied by the spin transfer due to spin-wave emission was observed. Possible scenarios of PID in the garnet film are discussed. Finally, we develop a model for the spin-wave excitation triggered by PID and explain the magnetic-field dependence in the amplitude of the observed spin waves.",2003.05159v1 2023-10-27,Strain-Tunable Magnetic Compensation Temperature of Epitaxial Tb$_3$Fe$_5$O$_{12}$ Thin Films,"High-quality rare-earth iron garnet (ReIG) Tb$_3$Fe$_5$O$_{12}$ (TbIG) thin films are epitaxially grown on a series of (111)-oriented garnet substrates with various lattice constants. The coherent growth induces a substrate-dependent in-plane tensile or compressive strain in the TbIG film. Measurements of the anomalous Hall-like effect (AHLE) in TbIG/Pt heterostructures show that the compensation temperature of TbIG films monotonically changes with the film strain. The strain results in a variation of the distances between magnetic atoms in the TbIG crystal and therefore the corresponding exchange interactions. The latter is explicitly calculated as a function of the lattice strain based on density functional theory, reproducing the observed experimental results. This work provides a versatile way to optimize ReIG-based spin-orbit torque devices.",2310.17841v1 2023-11-13,Magnetoresistive detection of perpendicular switching in a magnetic insulator,"Spintronics offers promising routes for efficient memory, logic, and computing technologies. The central challenge in spintronics is electrically manipulating and detecting magnetic states in devices. The electrical control of magnetization via spin-orbit torques is effective in both conducting and insulating magnetic layers. However, the electrical readout of magnetization in the latter is inherently difficult, limiting its use in practical applications. Here, we demonstrate magnetoresistive detection of perpendicular magnetization reversal in an electrically insulating ferrimagnet, terbium iron garnet (TbIG). To do so, we use TbIG|Cu|TbCo, where TbCo is a conducting ferrimagnet and serves as the reference layer, and Cu is a nonmagnetic spacer. Current injection through Cu|TbCo allows us to detect the magnetization reversal of TbIG with a simple resistance readout during an external magnetic field sweep. By examining the effect of measurement temperature, TbCo composition, and Cu thickness on the sign and amplitude of the magnetoresistance, we conclude that the spin-dependent electron scattering at the TbIG|Cu interface is the underlying cause. Technologically-feasible magnetoresistive detection of perpendicular switching in a ferrimagnetic garnet is a breakthrough, as it opens broad avenues for novel insulating spintronic devices and concepts.",2311.07350v1 2004-07-23,Stability of Fe-based alloys with structure type C6Cr23,"Bulk metallic glass forms when liquid metal alloys solidify without crystalization. In the search for Iron-based bulk glass-forming alloys of the metal-metalloid type (Fe-B- and Fe-C-based), crystals based on the structural prototype C6Cr23 often preempt the amorphous phase. Destabilizing this competing crystal structure could enhance glass-formability. We carry out first-principles total energy calculations of enthalpy of formation to identify third elements that can effectively destabilize C6Cr23. Yttrium appears optimal among transition metals, and rare earths also are suitable. Atomic size is the dominant factor.",0407633v1 2007-11-10,Stability of Bose Einstein condensates of hot magnons in YIG,"We investigate the stability of the recently discovered room temperature Bose-Einstein condensate (BEC) of magnons in Ytrrium Iron Garnet (YIG) films. We show that magnon-magnon interactions depend strongly on the external field orientation, and that the BEC in current experiments is actually metastable - it only survives because of finite size effects, and because the BEC density is very low. On the other hand a strong field applied perpendicular to the sample plane leads to a repulsive magnon-magnon interaction; we predict that a high-density magnon BEC can then be formed in this perpendicular field geometry.",0711.1574v1 2010-01-03,Electrically stabilized magnetic vortex and antivortex states in magnetic dielectrics,"The micromagnetic distribution in a dielectric nanoparticle is theoretically considered. It is shown that the existence of inhomogeneous magnetoelectric interaction in magnetic dielectrics provides the possibility to stabilize the vortex and antivortex state. The estimation of the critical voltage necessary for vortex/antivortex nucleation in bismuth ferrite and iron garnet nanoparticles yields a value of +/-150 V. This system can be considered as electrically switchable two state-logic magnetic element.",1001.0391v4 2010-01-05,Ferroelectricity of Neel-type magnetic domain walls,"The chirality-dependent magnetoelectric properties of Neel-type domain walls in iron garnet films is observed. The electrically driven magnetic domain wall motion changes the direction to the opposite with the reversal of electric polarity of the probe and with the chirality switching of the domain wall from clockwise to counterclockwise. This proves that the origin of the electric field induced micromagnetic structure transformation is inhomogeneous magnetoelectric interaction.",1001.0672v1 2010-06-14,"Comment on ""Limit on the Electron Electric Dipole Moment in Gadolinium-Iron Garnet"" [arXiv:physics/0509106]","In the paper being commented on it is proposed a new method for the detection of the electron EDM using the solid GdIG. There, it is argued that a sample electric polarization appears when the sample is magnetized; the common belief is that the electron EDM must be collinear with its magnetic moment. All this is objected and it is suggested that the polarization of the sample can be explained by the direct, Lorentz covariant, interaction between B^{a} and an EDM d^{a}.",1006.4154v1 2011-07-13,Two-Dimensional Propagation of a Photoinduced Spin Wave Packet,"We report the two-dimensional propagation of photoinduced spin wave packets in Bi-doped rare-earth iron garnet. Spin waves were excited nonthermally and impulsively by a circularly polarized light pulse via the inverse Faraday effect. Space- and time resolved spin waves were detected with a magneto-optical pump-probe technique. We investigated propagation in two directions, parallel and perpendicular to the magnetic field. Backward volume magnetostatic waves (BVMSWs) were detected in both directions. The frequency of BVMSWs depends on the propagation direction. The experimental results agreed well with the dispersion relation of BVMSWs.",1107.2457v1 2016-06-27,Magnetic Bubble Domain Blowing with Electric Probe,"The problem of bubble domain generation is revisited from a new perspective that was opened by recent findings in the field of physics of magnetic skyrmions. The single bubble domain can be generated under the tip electrode touching the surface of dielectric iron garnet film by positive step-like voltage pulse and its equilibrium size can be increased with further rising of electric potential. The theoretical analysis shows that the same mechanism can be used to stabilize the submicron bubbles topologically equivalent to the skyrmion.",1606.08316v2 2023-09-01,Electrical detection of parallel parametric amplification and attenuation in $\mathrm{Y}_3\mathrm{Fe}_5\mathrm{O}_{12}$/$\mathrm{Pt}$ bilayer disk,"We report a systematic quantitative evaluation of parametric amplification gain of magnetization dynamics in ytirrium iron garnet ($\mathrm{Y}_3\mathrm{Fe}_5\mathrm{O}_{12}$) thin disk via a.c. spin pumping and inverse spin Hall effect. We demonstrate its signature phase-dependence where amplification and attenuation occur every $\frac{\pi}{2}$ phase shift of the input signal. The results also show the pump-power dependence of the gain that is explained well by our theoretical model. Finally, the optimal conditions for the amplification is investigated by measuring the magnetic field dependence, where we find the highest gain of 11.4 dB.",2309.00259v1 2008-10-15,The prospects for a new search for the electron electric dipole moment in solid Gadolinium iron garnet ceramics,"We address a number of issues regarding solid state electron electric dipole moment (EDM) experiments, focusing on gadolinium iron garnet (abbreviated GdIG, chemical formula Gd$_3$Fe$_5$O$_{12}$) as a possible sample material. GdIG maintains its high magnetic susceptibility down to 4.2 K, which enhances the EDM-induced magnetization of a sample placed in an electric field. We estimate that lattice polarizability gives rise to an EDM enhancement factor of approximately 20. We also calculate the effect of the demagnetizing field for various sample geometries and permeabilities. Measurements of intrinsic GdIG magnetization noise are presented, and the fluctuation-dissipation theorem is used to compare our data with the measurements of the imaginary part of GdIG permeability at 4.2 K, showing good agreement above frequencies of a few hertz. We also observe how the demagnetizing field suppresses the noise-induced magnetic flux, confirming our calculations. The statistical sensitivity of an EDM search based on a solid GdIG sample is estimated to be on the same level as the present experimental limit. Such a measurement would be valuable, given the completely different methods and systematics involved. The most significant systematics in such an experiment are the magnetic hysteresis and the magneto-electric effect. Our analysis shows that it should be possible to control these at the level of statistical sensitivity.",0810.2756v1 2016-12-22,Bismuth iron garnet Bi3Fe5O12: a room temperature magnetoelectric material,"The possibility to control the magnetic properties of a material with an electric field at room temperature is highly desirable for modern applications. Moreover, a coupling between magnetic and electric orders within a single material presenting a wide range of exceptional physical properties, such as bismuth iron garnet (BIG), may lead to great advances in the field of spintronic applications. In particular, the combination of the magnetoelectric (ME) coupling with the low damping of spin waves in BIG can allow the control and manipulation of spin waves by an electric field in magnonic devices. Here we report the unambiguous observation of linear magnetoelectric coupling above 300 K in BIG using ferromagnetic resonance technique with electric field modulation. The measured coupling value is comparable with that observed for prototypal magnetoelectric Cr2O3. On the basis of our experimental results, the strength of this linear ME coupling is directly linked to the presence of bismuth ions inducing strong spin orbit coupling and to the appearance of local magnetic inhomogeneities related to the magnetic domain structure. The unprecedented combination of magnetic, optical and magnetoelectrical properties in BIG is expected to trigger significant interest for technological applications as well as for theoretical studies.",1612.07531v3 2019-12-22,First-principles study of magnon-phonon interactions in gadolinium iron garnet,"We obtained the spin-wave spectrum based on a first-principles method of exchange constants, calculated the phonon spectrum by the first-principles phonon calculation method, and extracted the broadening of the magnon spectrum, $\Delta \omega$, induced by magnon-phonon interactions in gadolinium iron garnet (GdIG). Using the obtained exchange constants, we reproduce the experimental Curie temperature and the compensation temperature from spin models using Metropolis Monte Carlo (MC) simulations. In the lower-frequency regime, the fitted positions of the magnon-phonon dispersion crossing points are consistent with the inelastic neutron scattering experiment. We found that the $\Delta \omega$ and magnon wave vector $k$ have a similar relationship in YIG. The broadening of the acoustic spin-wave branch is proportional to $k^{2}$, while that of the YIG-like acoustic branch and the optical branch are a constant. At a specific $k$, the magnon-phonon thermalization time of $\tau_{mp}$ are approximately $10^{-9}$~s, $10^{-13}$~s, and $10^{-14}$~s for acoustic branch, YIG-like acoustic branch, and optical branch, respectively. This research provides specific and effective information for developing a clear understanding of the spin-wave mediated spin Seebeck effect and complements the lack of lattice dynamics calculations of GdIG.",1912.10432v1 2020-02-25,Strain-Tuned Magnetic Anisotropy in Sputtered Thulium Iron Garnet Ultrathin Films and TIG/Au/TIG Valve Structures,"Defining the magnetic anisotropy for in-plane or out-of-plane easy axis in ferrimagnetic insulators films by controlling the strain, while maintaining high-quality surfaces, is desirable for spintronic and magnonic applications. We investigate ways to tune the anisotropy of amorphous sputtered ultrathin thulium iron garnet (TIG) films, and thus tailor their magnetic properties by the thickness (7.5 to 60 nm), substrate choice (GGG and SGGG), and crystallization process. We correlate morphological and structural properties with the magnetic anisotropy of post-growth annealed films. 30 nm thick films annealed at 600 {\deg}C show compressive strain favoring an in-plane magnetic anisotropy (IPMA), whereas films annealed above 800 {\deg}C are under a tensile strain leading to a perpendicular magnetic anisotropy (PMA). Air-annealed films present a high degree of crystallinity and magnetization saturation close to the bulk value. These results lead to successful fabrication of trilayers TIG/Au/TIG, with coupling between the TIG layers depending on Au thickness. These results will facilitate the use of TIG to create various in situ clean hybrid structures for fundamental interface exchange studies, and towards the development of complex devices. Moreover, the sputtering technique is advantageous as it can be easily scaled up for industrial applications.",2002.10608v2 2020-09-05,Vector magneto-optical magnetometer based on the resonant all-dielectric gratings with highly anisotropic iron-garnet films,"A sensitive vector magnetometry with high spatial resolution is important for various practical applications, such as magnetocardiography, magnetoencephalography, explosive materials detection and many others. We propose a magnetometer based on the magnetic iron-garnet film possessing a very high magnetic anisotropy, placed in the rotating external magnetic field. Each of the measured magnetic field spatial components produces different temporal harmonics in the out-of-plane magnetization dependence. The dielectric resonant grating placed on the top of an ultrathin film enhanced the magneto-optical response 10 times which makes it possible to achieve 10 times higher spatial resolution in the perpendicular to the film direction. The reported magneto-optical magnetometer allows one to measure simultaneously all three spatial components of the magnetic field with high spatial resolution and sensitivity up to 100 pT/Hz$^{1/2}$.",2010.01954v1 2021-05-10,Valley polarization of trions in monolayer MoSe$_2$ interfaced with bismuth iron garnet,"Interfacing atomically thin van der Waals semiconductors with magnetic substrates enables additional control on their intrinsic valley degree of freedom and provides a promising platform for the development of novel valleytronic devices for information processing and storage. Here we study circularly polarized photoluminescence in heterostructures of monolayer MoSe$_2$ and thin films of ferrimagnetic bismuth iron garnet. We observe strong emission from charged excitons with negative valley polarization, which switches sign with increasing temperature, and demonstrate contrasting response to left and right circularly polarized excitation, associated with finite out-of-plane magnetization in the substrate. We propose a theoretical model accounting for magnetization-induced imbalance of charge carriers in the two valleys of MoSe$_2$, as well as for valley-switching scattering from B to A excitons and fast formation of trions with extended valley relaxation times, which shows excellent agreement with the experimental data. Our results provide new insights into valley physics in 2D semiconductors interfaced with magnetic substrates.",2105.04327v2 2022-01-01,Giant widening of interface magnetic layer in almost compensated iron garnet,"A two-sublattice ferrimagnet undergoes a transition from a collinear to canted magnetic phase at magnetic field oriented along an easy magnetization direction. In this work, we study the transition by means of the magneto-optical Faraday effect in a thin film of compensated iron garnet (Lu$_{3-{\rm{x}}}$Bi$_{\rm{x}}$)(Fe$_{5-{\rm{y}}-{\rm{z}}}$Ga$_{\rm{y}}$Al$_{\rm{z}}$)O$_{12}$ grown on Gd$_3$Ga$_5$O$_{12}$ substrate. In the immediate vicinity of the compensation temperature a precursor of the transition with a complex shape was observed. Using a special sample with variable thickness we demonstrate an interfacial origin of the precursor. Diffusion of gadolinium from the substrate into the film forms a thin intermixed layer with enhanced magnetization. It induces an extended inhomogeneous magnetic structure in the film. A two-step shape of the precursor appears due to an easy-plane anisotropy of the intermixed magnetic layer. We emphasize that an effective width of the inhomogeneous magnetization distribution in the film grows enormously while approaching the compensation temperature.",2201.00134v1 2023-12-26,All solution grown epitaxial magnonic crystal of thulium iron garnet thin film,"Magnonics has shown the immense potential of compatibility with CMOS devices and the ability to be utilized in futuristic quantum computing. Therefore, the magnonic crystals, both metallic and insulating, are under extensive exploration. The presence of high spin-orbit interaction induced by the presence of rare-earth elements in thulium iron garnet (TmIG) increases its potential in magnonic applications. Previously, TmIG thin films were grown using ultra-high vacuum-based techniques. Here, we present a cost-effective solution-based approach that enables the excellent quality interface and surface roughness of the epitaxial TmIG/GGG. The deposited TmIG (12.2 nm) thin film's physical and spin dynamic properties are investigated in detail. The confirmation of the epitaxy using X-ray diffraction in $\phi$-scan geometry along with the X-ray reflectivity and atomic force for the thickness and roughness analysis and topography, respectively. The epitaxial TmIG/GGG have confirmed the perpendicular magnetic anisotropy utilizing the polar-magneto-optic Kerr effect. Analyzing the ferromagnetic resonance study of TmIG/GGG thin films provides the anisotropy constant K$_U$ = 20.6$\times$10$^3$ $\pm$ 0.2$\times$10$^3$ N/m$^2$ and the Gilbert damping parameter $\alpha$ = 0.0216 $\pm$ 0.0028. The experimental findings suggest that the solution-processed TmIG/GGG thin films have the potential to be utilized in device applications.",2312.15973v1 2021-07-19,Measurement of the Thulium Ion Spin Hamiltonian Within a Yttrium Gallium Garnet Host Crystal,"We characterize the magnetic properties for thulium ion energy levels in the Y$_3$Ga$_5$O$_{12}$ (Tm:YGG) lattice with the goal to improve decoherence and reduce line-width broadening caused by local host spins and crystal imperfections. More precisely, we measure hyperfine tensors for the lowest level of the, $^3$H$_6$, and excited, $^3$H$_4$, states using a combination of spectral hole burning, absorption spectroscopy, and optically detected nuclear magnetic resonance. By rotating the sample through a series of angles with an applied external magnetic field, we measure and analyze the orientation dependence of the Tm$^{3+}$ ion's spin-Hamiltonian. Using this spin-Hamiltonian, we propose a set of orientations to improve material properties that are important for light-matter interaction and quantum information applications. Our results yield several important external field directions: some to extend optical coherence times, another to improve spin inhomogeneous broadening, and yet another that maximizes mixing of the spin states for specific sets of ions, which allows improving optical pumping and creation of lambda systems in this material.",2107.08920v1 2023-08-12,High stability white light generation in water at multi-kilohertz repetition rate,"Efficient supercontinuum (SC) generation featuring high spectral intensity across a large bandwidth requires high peak powers of several megawatt from pulsed lasers. Under these conditions and at multi-kilohertz (kHz) repetition rates, the SC generated in most materials is unstable due to thermal effects. In this work, we leverage the superior dispersion properties of water to maximize the spectral width of the SC, while avoiding stability issues due to thermal loading by means of a constant laminar flow of the liquid. This flow is controlled by a differential pressure scheme that allows to precisely adjust the fluid velocity to an optimum value for maximum stability of the SC. This approach is successfully implemented for repetition rates of 50 kHz and 100 kHz and two different pump wavelengths in the visible (VIS) and near infrared (NIR) spectral region with stability of the SC signal only limited by the driving pulses. The resulting water SC spans more than one octave covering the VIS to NIR range. Compared to established materials, such as yttrium aluminum garnet (YAG) and sapphire, the spectral bandwidth is increased by 60 % and 40 % respectively. Our scheme has the potential to be implemented with other liquids such as bromine or carbon disulfide (CS2), which promise even wider broadening and operation up to the mid-infrared.",2308.06636v1 2007-07-20,A canonical transformation theory from extended normal ordering,"The Canonical Transformation theory of Yanai and Chan [J. Chem. Phys. 124, 194106 (2006)] provides a rigorously size-extensive description of dynamical correlation in multireference problems. Here we describe a new formulation of the theory based on the extended normal ordering procedure of Mukherjee and Kutzelnigg [J. Chem. Phys. 107, 432 (1997)]. On studies of the water, nitrogen, and iron-oxide potential energy curves, the Linearised Canonical Transformation Singles and Doubles theory is competitive in accuracy with some of the best multireference methods, such as the Multireference Averaged Coupled Pair Functional, while computational timings (in the case of the iron-oxide molecule) are two-three orders of magnitude faster and comparable to those of Complete Active Space Second-Order Perturbation Theory. The results presented here are greatly improved both in accuracy and in cost over our earlier study as the result of a new numerical algorithm for solving the amplitude equations.",0707.3128v1 2018-10-24,Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunctions,"The electronic structure of the nitrogenase metal cofactors is central to nitrogen fixation. However, the P-cluster and iron molybdenum cofactor, each containing eight irons, have resisted detailed characterization of their electronic properties. Through exhaustive many-electron wavefunction simulations enabled by new theoretical methods, we report on the low-energy electronic states of the P-cluster in three oxidation states. The energy scales of orbital and spin excitations overlap, yielding a dense spectrum with features we trace to the underlying atomic states and recouplings. The clusters exist in superpositions of spin configurations with non-classical spin correlations, complicating interpretation of magnetic spectroscopies, while the charges are mostly localized from reorganization of the cluster and its surroundings. Upon oxidation, the opening of the P-cluster significantly increases the density of states, which is intriguing given its proposed role in electron transfer. These results demonstrate that many-electron simulations stand to provide new insights into the electronic structure of the nitrogenase cofactors.",1810.10196v2 2019-08-16,Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur Dimers,"Iron-sulfur complexes play an important role in biological processes such as metabolic electron transport. A detailed understanding of the mechanism of long range electron transfer requires knowledge of the electronic structure of the complexes, which has traditionally been challenging to obtain, either by theory or by experiment, but the situation has begun to change with advances in quantum chemical methods and intense free electron laser light sources. We compute the signals from stimulated X-ray Raman spectroscopy (SXRS) and absorption spectroscopy of homovalent and mixed-valence [2Fe-2S] complexes, using the {\it ab initio} density matrix renormalization group (DMRG) algorithm. The simulated spectra show clear signatures of the theoretically predicted dense low-lying excited states within the d-d manifold. Furthermore, the difference in signal intensity between the absorption-active and Raman-active states provides a potential mechanism to selectively excite states by a proper tuning of the excitation pump, to access the electronic dynamics within this manifold.",1908.05802v1 2019-08-14,"The chemical compositions of the 2 new HgMn stars HD 30085 and HD 30963. Comparison to $χ$ Lupi A, $ν$ Cap and HD 174567","We report on a detailed abundance study of the fairly bright slow rotators HD 30085 (A0 IV), HD 30963 (B9 III) and HD 174567 (A0 V), hitherto reported as normal stars and the sharp-lined chi Lupi A (B9 IV HgMn). In the spectra of HD 30085, HD 30963, the Hg II line at 3984 A line is conspicuous and numerous lines of silicon, manganese, chromium, titanium, iron, strontium, yttrium and zirconium appear to be strong absorbers. A comparison of the mean spectra of HD 30085 and HD 30963 with a grid of synthetic spectra for selected unblended lines having reliable updated atomic data reveals large overabundances of phosphorus, titanium, chromium, manganese, strontium, yttrium, and zirconium, barium, platinum and mercury and underabundances of helium, magnesium, scandium, nickel. The surface abundances of chi Lupi A have been rederived on the same effective temperature scale and using the same atomic data for consistency and comparison for HD 30085 and HD 30963. For HD 174567, milder deficiencies and excesses are found. The abundances of sodium, magnesium and calcium have been corrected for NLTE effects. The effective temperatures, surface gravities, low projected rotational velocities and the peculiar abundance patterns of HD 30085 and HD 30963 show that these stars are 2 new HgMn stars and should be reclassified as such. HD 174567 is most likely a new marginally Chemically Peculiar star. A list of the identifications of lines absorbing more than 2% in the spectrum of HD 30085 is also provided.",1908.05023v1 2008-03-12,Structural stability of Fe5Si3 and Ni2Si studied by high-pressure x-ray diffraction and ab initio total-energy calculations,"We performed high-pressure angle dispersive x-ray diffraction measurements on Fe5Si3 and Ni2Si up to 75 GPa. Both materials were synthesized in bulk quantities via a solid-state reaction. In the pressure range covered by the experiments, no evidence of the occurrence of phase transitions was observed. On top of that, Fe5Si3 was found to compress isotropically, whereas an anisotropic compression was observed in Ni2Si. The linear incompressibility of Ni2Si along the c-axis is similar in magnitude to the linear incompressibility of diamond. This fact is related to the higher valence-electron charge density of Ni2Si along the c-axis. The observed anisotropic compression of Ni2Si is also related to the layered structure of Ni2Si where hexagonal layers of Ni2+ cations alternate with graphite-like layers formed by (NiSi)2- entities. The experimental results are supported by ab initio total-energy calculations carried out using density functional theory and the pseudopotential method. For Fe5Si3, the calculations also predicted a phase transition at 283 GPa from the hexagonal P63/mcm phase to the cubic structure adopted by Fe and Si in the garnet Fe5Si3O12. The room-temperature equations of state for Fe5Si3 and Ni2Si are also reported and a possible correlation between the bulk modulus of iron silicides and the coordination number of their minority element is discussed. Finally, we report novel descriptions of these structures, in particular of the predicted high-pressure phase of Fe5Si3 (the cation subarray in the garnet Fe5Si3O12), which can be derived from spinel Fe2SiO4 (Fe6Si3O12).",0803.1722v1 2015-07-27,Ultrafast laser-induced changes of the magnetic anisotropy in a low-symmetry iron garnet film,"We explore a thermal mechanism of changing the anisotropy by femtosecond laser pulses in dielectric ferrimagnetic garnets by taking a low symmetry (YBiPrLu)3(FeGa)5O12 film grown on the (210)-oriented Gd3Ga5O12 substrate as a model media. We demonstrate by means of spectral magneto-optical pump-probe technique and phenomenological analysis, that the magnetization precession in such a film is triggered by laser-induced changes of the growth-induced magnetic anisotropy along with the well-known ultrafast inverse Faraday effect. The change of magnetic anisotropy is mediated by the lattice heating induced by laser pulses of arbitrary polarization on a picosecond time scale. We show that the orientation of the external magnetic field with respect to the magnetization easy plane noticeably affects the precession excited via the anisotropy change. Importantly, the relative contributions from the ultrafast inverse Faraday effect and the change of different growth-induced anisotropy parameters can be controlled by varying the applied magnetic field strength and direction. As a result, the amplitude and the initial phase of the excited magnetization precession can be gradually tuned.",1507.07437v2 2023-05-12,Multireference protonation energetics of a dimeric model of nitrogenase iron-sulfur clusters,"Characterizing the electronic structure of the iron--sulfur clusters in nitrogenase is necessary to understand their role in the nitrogen fixation process. One challenging task is to determine the protonation state of the intermediates in the nitrogen fixing cycle. Here, we use a dimeric iron--sulfur model to study relative energies of protonation at C, S or Fe. Using a composite method based on coupled cluster and density matrix renormalization group energetics, we converge the relative energies of four protonated configurations with respect to basis set and correlation level. We find that accurate relative energies require large basis sets, as well as a proper treatment of multireference and relativistic effects. We have also tested ten density functional approximations for these systems. Most of them give large errors in the relative energies. The best performing functional in this system is B3LYP, which gives mean absolute and maximum errors of only 10 and 13 kJ/mol with respect to our correlated wavefunction estimates, respectively. Our work provides benchmark results for the calibration of new approximate electronic structure methods and density functionals for these problems.",2305.07227v2 2022-01-11,"Single-crystal epitaxial europium iron garnet films with strain-induced perpendicular magnetic anisotropy: structural, strain, magnetic, and spin transport properties","Single-crystal europium iron garnet (EuIG) thin films epitaxially strain-grown on gadolinium gallium garnet (GGG)(100) substrates using off-axis sputtering have strain-induced perpendicular magnetic anisotropy (PMA). By varying the sputtering conditions, we have tuned the europium/iron (Eu/Fe) composition ratios in the films to tailor the film strains. The films exhibited an extremely smooth, particle-free surface with roughness as low as 0.1 nm as observed using atomic force microscopy. High-resolution x-ray diffraction analysis and reciprocal space maps showed in-plane epitaxial film growth, very smooth film/substrate interface, excellent film crystallinity with a small full width at half maximum of 0.012$^{\circ}$ in the rocking curve scans, and an in-plane compressive strain without relaxation. In addition, spherical aberration-corrected scanning transmission electron microscopy showed an atomically abrupt interface between the EuIG film and GGG. The measured squarish out-of-plane magnetization-field hysteresis loops by vibrating sample magnetometry in conjunction with the measurements from angle-dependent x-ray magnetic dichroism demonstrated the PMA in the films. We have tailored the magnetic properties of the EuIG thin films, including saturation magnetization ranging from 71.91 to 124.51 emu/c.c. (increase with the (Eu/Fe) ratios), coercive field from 27 to 157.64 Oe, and the strength of PMA field ($H_\bot$) increasing from 4.21 to 18.87 kOe with the in-plane compressive strain from -0.774 to -1.044%. We have also investigated spin transport in Pt/EuIG bi-layer structure and evaluated the real part of spin mixing conductance to be $3.48\times10^{14} {\Omega}^{-1}m^{-2}$. We demonstrated the current-induced magnetization switching with a low critical switching current density of $3.5\times10^6 A/cm^2$, showing excellent potential for low-dissipation spintronic devices.",2201.03843v1 2022-12-31,"Electrically Sign-Reversible Topological Hall Effect in a Top-Gated Topological Insulator (Bi,Sb)2Te3 on a Ferrimagnetic Insulator Europium Iron Garnet","Topological Hall effect (THE), an electrical transport signature of systems with chiral spin textures like skyrmions, has been observed recently in topological insulator (TI)-based magnetic heterostructures. However, the intriguing interplay between the topological surface state and THE is yet to be fully understood. In this work, we report a large THE of ~10 ohm (~4 micro-ohm*cm) at 2 K with an electrically reversible sign in a top-gated 4 nm TI (Bi0.3Sb0.7)2Te3 (BST) grown on a ferrimagnetic insulator (FI) europium iron garnet (EuIG). Temperature, external magnetic field angle, and top gate bias dependences of magnetotransport properties were investigated and consistent with a skyrmion-driven THE. Most importantly, a sign change in THE was discovered as the Fermi level was tuned from the upper to the lower parts of the gapped Dirac cone and vice versa. This discovery is anticipated to impact technological applications in ultralow power skyrmion-based spintronics.",2301.00213v2 2016-06-02,First-principles calculation of the stabilities of lithium garnet compositions against hydration,"A series of density functional electronic structure calculations were carried out to better understand the crystallographic factors governing the stability of LinA3B2O12 lithium garnet phases against hydration. The reaction studied is H2O + LinA3B2O12 = LiOH + HnA3B2O12. Most of the compositions are stable against pure water; the main driving force for instability in the atmosphere is the reaction of lithium hydroxide with CO2 to make lithium carbonate. The calculated hydration resistance scales with the Pauling bond valence on the oxygen atom contributed by the coordinating A and B ions. In the unexchanged Li-garnets, this bond valence must be balanced by lithium, so there is also a good overall correlation of hydration stability with lithium stoichiometry (n): hydration resistance increases in the order Li8-garnet < Li7-garnet < Li6-garnet < Li5-garnet < Li3-garnet. Only Li3A3B2O12 garnets have proton exchange energies sufficiently positive to overcome the decomposition energy of lithium hydroxide into lithium carbonate + water; the n=3 garnets are predicted to be stable to hydration under atmospheric conditions, in agreement with observations (Galven et al. Chem. Mater. 2012 24, 3335-3345). At a given lithium ion stoichiometry, hydration resistance is greater for A, B ions having smaller ionic radii.",1606.01807v1 2005-08-05,Large Second Harmonic Kerr rotation in GaFeO3 thin films on YSZ buffered Silicon,"Epitaxial thin films of gallium iron oxide (GaFeO3) are grown on (001) silicon by pulsed laser deposition (PLD) using yttrium-stabilized zirconia (YSZ) buffer layer. The crystalline template buffer layer is in-situ PLD grown through the step of high temperature stripping of the intrinsic silicon surface oxide. The X-ray diffraction pattern shows c-axis orientation of YSZ and b-axis orientation of GaFeO3 on Si (100) substrate. The ferromagnetic transition temperature (TC ~ 215 K) is in good agreement with the bulk data. The films show a large nonlinear second harmonic Kerr rotation of ~15 degrees in the ferromagnetic state.",0508159v1 2013-03-27,"Status report on the analysis of inelastic neutron scattering from carbon, iron, yttrium and lead at 96 MeV","This work is part of an effort to provide more experimental data for the (n,n'x) reaction. The experiments were carried out at The Svedberg Laboratory in Uppsala, Sweden, at the quasi-mono-energetic neutron beam of 96 MeV, before the facility was upgraded in 2004. Using an extended data analysis of data primarily intended for measuring elastic neutron scattering only, it was found to be possible to extract information on the inelastic scattering from several nuclei. In the preliminary data analysis, an iterative forward-folding technique was applied, in which a physically reasonable trial spectrum was folded with the response function of the detector system and the output was compared to the experimental data. As a result, double-differential cross sections and angular distributions of inelastic neutron scattering from 12-C, 56-Fe, 89-Y and 208-Pb could be obtained. In this paper, a status update on the efforts to improve the description of the detector response function is given.",1303.6819v1 2023-05-11,Vortex phase dynamics in yttrium superhydride YH$_6$ at megabar pressures,"A comprehensive study of the vortex phases and vortex dynamics is presented for a recently discovered high-temperature superconductor YH$_6$ with T$_C$ (onset) of 215 K under pressure of 200 GPa.Thermal activation energy (U$_0$) is derived in the framework of thermally activated flux flow (TAFF) theory. The activation energy yields a power law dependence U$_0$ $\propto$ H$^\alpha$ on magnetic field with a possible crossover at a field around 8-10 Tesla. Furthermore, we have depicted the vortex phase transition from vortex-glass to vortex-liquid state according to the vortex-glass theory. Finally, vortex phase diagram is constructed for the first time for superhydrides. Very high estimated values of flux flow barriers U$_0$(H) = 1.5-7*10$^4$ K together with high crossover fields makes YH$_6$ a rather outstanding superconductor as compared to most cuprates and iron-based systems. The Ginzburg number for YH$_6$ Gi = 3-7*10$^{-3}$ indicates that thermal fluctuations are not so strong and cannot broaden superconducting transitions in weak magnetic fields.",2305.06546v1 2011-12-17,Experimental research of double beta decay of atomic nuclei,"Results of several double beta decay experiments, performed with the help of low background crystal scintillators, are presented. In particular, the half-life value of the two-neutrino double beta decay of 116-Cd has been measured as 2.9 10^{19} yr, and the new half-life limit on the neutrinoless double beta decay of 116-Cd has been established as >1.7 10^{23} yr at 90%, which corresponds to a restriction on the neutrino mass <1.7 eV. New half-life bounds on the level of 10^{17}-10^{21} yr were set for double beta processes in 64-Zn, 70-Zn, 106-Cd, 108-Cd, 114-Cd, 136-Ce, 138-Ce, 142-Ce, 160-Gd, 180-W, and 186-W by using low-background CdWO4, GSO, and ZnWO4 crystal scintillators. The claim of discovery of the neutrinoless double beta decay of 76-Ge [Mod. Phys. Lett. A 16 (2001) 2409] was analyzed. The demands of the future high sensitivity double beta decay experiments, aiming to observe the neutrinoless double beta decay or to advance restrictions on the neutrino mass to < 0.01 eV, were considered. Requirements for their sensitivity and discovery potential were formulated. Two projects of double beta experiments with a sensitivity on the level of 10^{26}-10^{27} yr (CAMEO and CARVEL projects) were discussed. Scintillation properties and radioactive contamination of CaWO4, ZnWO4, CdWO4, PbWO4, GSO(Ce), CeF3, yttrium-aluminum garnet doped with neodymium (YAG:Nd) crystal scintillators were studied. Applicability of these scintillators to search for double beta decay was discussed.",1112.4067v2 2010-05-17,"Comment on ""Prospects for a new search for the electron electric-dipole moment in solid gadolinium-iron-garnet ceramics""","In a recent paper [A. O. Sushkov, S. Eckel and S. K. Lamoreaux, Phys. Rev. A 79, 022118 (2009), arXiv:0810.2756 ] the authors measured the EDM-induced magnetization M that is given by Eq. (1) in their paper. Such an expression for M is a consequence of the generally accepted opinion that both dipole moments, a MDM m and an EDM d, are proportional to the spin S. Recently [T. Ivezic, Phys. Scr. 81, 025001 (2010)] the Uhlenbeck-Goudsmit hypothesis is generalized in a Lorentz covariant manner using the four-dimensional (4D) geometric quantities. From the viewpoint of such formulation there is no EDM-induced magnetization M; in the 4D spacetime the EDM d^{a} is not proportional to S^{a}. It is argued that the induced M can come from the direct interaction between the applied electric field E^{a} and a MDM m^{a}.",1005.3037v1 2012-11-11,Electric polarization of magnetic textures: new horizons of micromagnetism,"A common scenario of magnetoelectric coupling in multiferroics is the electric polarization induced by spatially modulated spin structures. It is shown in this paper that the same mechanism works in magnetic dielectrics with inhomogeneous magnetization distribution: the domain walls and magnetic vortexes can be the sources of electric polarization. The electric field driven magnetic domain wall motion is observed in iron garnet films. The electric field induced nucleation of vortex state of magnetic nanodots is theoretically predicted and numerically simulated. From the practical point of view the electric field control of micromagnetic structures is promising for applications in low-power-consumption spintronic and magnonic devices.",1211.2403v1 2014-08-21,Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics,"FeS clusters are a universal biological motif. They carry out electron transfer, redox chemistry, and even oxygen sensing, in diverse processes including nitrogen fixation, respiration, and photosynthesis. The low-lying electronic states are key to their remarkable reactivity, but cannot be directly observed. Here we present the first ever quantum calculation of the electronic levels of [2Fe-2S] and [4Fe-4S] clusters free from any model assumptions. Our results highlight limitations of long-standing models of their electronic structure. In particular, we demonstrate that the widely used Heisenberg-Double-Exchange model underestimates the number of states by 1-2 orders of magnitude, which can conclusively be traced to the absence of Fe d$\rightarrow$d excitations, thought to be important in these clusters. Further, the electronic energy levels of even the same spin are dense on the scale of vibrational fluctuations, and this provides a natural explanation for the ubiquity of these clusters in nature for catalyzing reactions.",1408.5080v1 2017-01-31,Tunable magnon-photon coupling in a compensating ferrimagnet - from weak to strong coupling,"We experimentally study the magnon-photon coupling in a system consitsing of the compensating ferrimagnet gadolinium iron garnet (GdIG) and a three-dimensional microwave cavity. The temperature is varied in order to tune the GdIG magnetization and to observe the transition from the weak coupling regime to the strong coupling regime. By measuring and modelling the complex reflection parameter of the system the effective coupling rate g eff and the magnetization M eff of the sample are extracted. Comparing g eff with the magnon and the cavity decay rate we conclude that the strong coupling regime is easily accessible using GdIG. We show that the effective coupling strength follows the predicted square root dependence on the magnetization.",1701.08969v3 2017-05-09,Unidirectional control of optically induced spin waves,"Unidirectional control of optically induced spin waves in a rare-earth iron garnet crystal is demonstrated. We observed the interference of two spin-wave packets with different initial phases generated by circularly polarized light pulses. This interference results in unidirectional propagation if the spin-wave sources are spaced apart at 1/4 of the wavelength of the spin waves and the initial phase difference is set to pi/2. The propagating direction of the spin wave is switched by the polarization helicity of the light pulses. Moreover, in a numerical simulation, applying more than two spin-wave sources with a suitable polarization and spot shape, arbitrary manipulation of the spin wave by the phased array method was replicated.",1705.03349v1 2017-08-02,Strongly exchange-coupled and surface-state-modulated magnetization dynamics in Bi2Se3/YIG heterostructures,"We report strong interfacial exchange coupling in Bi2Se3/yttrium iron garnet (YIG) bilayers manifested as large in-plane interfacial magnetic anisotropy (IMA) and enhancement of damping probed by ferromagnetic resonance (FMR). The IMA and spin mixing conductance reached a maximum when Bi2Se3 was around 6 quintuple-layer (QL) thick. The unconventional Bi2Se3 thickness dependence of the IMA and spin mixing conductance are correlated with the evolution of surface band structure of Bi2Se3, indicating that topological surface states play an important role in the magnetization dynamics of YIG. Temperature-dependent FMR of Bi2Se3/YIG revealed signatures of magnetic proximity effect of $T_c$ as high as 180 K, and an effective field parallel to the YIG magnetization direction at low temperature. Our study sheds light on the effects of topological insulators on magnetization dynamics, essential for development of TI-based spintronic devices.",1708.00593v1 2018-04-13,Significant enhancement of magneto-optical effect in one-dimensional photonic crystals with magnetized epsilon-near-zero defect,"Nonreciprocal (NOR) transmission with magneto-optical materials plays a critical role in a broad range of applications, such as optical isolation, all-optical signal processing, and integrated photonic circuits. The underlying mechanism is that a static magnetic field can break the time-reversal symmetry in the presence of magneto-optical materials. However, the typical NOR devices usually need a large size because the weak magneto-optical activity of materials. Here, our theoretical investigations show that the NOR transmission can be obtained in the one-dimensional photonic crystal with a magnetized epsilon-near-zero (ENZ) defect due to strong field localization in the ENZ medium. The inherent weak magneto-optical activity is significantly enhanced in ENZ medium. In our configuration, the wavelength shift of transmission peaks along two opposite incident directions can be up to 100 times higher than that in the case that the defect layer is a normal bismuth iron garnet. Such results will provide a new degree to design novel magneto-optical devices with small size, and may open novel routes to exploit advanced materials for steering the electromagnetic waves in nano-scale structures.",1804.04805v1 2018-11-08,Sensitivity enhancement for a light axion dark matter search with magnetic material,"The sensitivity of experimental searches for axion dark matter coupled to photons is typically proportional to the strength of the applied static magnetic field. We demonstrate how a permeable material can be used to enhance the magnitude of this static magnetic field, and therefore improve the sensitivity of such searches in the low frequency lumped-circuit limit. Using gadolinium iron garnet toroids at temperature 4.2 K results in a factor of 4 enhancement compared to an air-core toroidal design. The enhancement is limited by magnetic saturation. Correlation of signals from three such toroids allows efficient rejection of systematics due to electromagnetic interference. The sensitivity of a centimeter-scale axion dark matter search based on this approach is on the order of $g_{a\gamma\gamma}\approx10^{-9}$ GeV$^{-1}$ after 8 hours of data collection for axion masses near $10^{-10}$ eV. This approach may substantially extend the sensitivity reach of large-volume lumped element axion dark matter searches.",1811.03231v1 2019-03-11,Exchange-enhanced Ultrastrong Magnon-Magnon Coupling in a Compensated Ferrimagnet,"The ultrastrong coupling of (quasi-)particles has gained considerable attention due to its application potential and richness of the underlying physics. Coupling phenomena arising due to electromagnetic interactions are well explored. In magnetically ordered systems, the quantum-mechanical exchange-interaction should furthermore enable a fundamentally different coupling mechanism. Here, we report the observation of ultrastrong intralayer exchange-enhanced magnon-magnon coupling in a compensated ferrimagnet. We experimentally study the spin dynamics in a gadolinium iron garnet single crystal using broadband ferromagnetic resonance. Close to the ferrimagnetic compensation temperature, we observe ultrastrong coupling of clockwise and anticlockwise magnon modes. The magnon-magnon coupling strength reaches more than 30% of the mode frequency and can be tuned by varying the direction of the external magnetic field. We theoretically explain the observed phenomenon in terms of an exchange-enhanced mode-coupling mediated by a weak cubic anisotropy.",1903.04330v2 2019-05-12,Peculiarities of the Faraday effect in gold-nanodisk/iron-garnet heterostructures,"In this paper, matters considering the immersion of gold nanoparticles inside a magnetic medium are investigated experimentally and theoretically. Three samples with periodic arrays of Au cylinders where studied: particles on a surface of the magnetic dielectric film, inside the magnetic film and directly under the magnetic film. The largest LSPR mediated Faraday rotation resonance enhancement takes place for the case of the nanoparticles submerged inside the magnetic film. Optimal place for nanoparticles is under the magnetic medium surface at 6 nm deep in the considered configurations. It is shown that the most influence on the Faraday rotation enhancement is produced by the magnetic properties of the medium between the nanoantennas. The experimental results are in good agreement with the numerical analysis.",1905.04697v1 2020-11-12,"Experimental parameters, combined dynamics, and nonlinearity of a Magnonic-Opto-Electronic Oscillator (MOEO)","We report the construction and characterization of a comprehensive magnonic-opto-electronic oscillator (MOEO) system based on 1550-nm photonics and yttirum iron garnet (YIG) magnonics. The system exhibits a rich and synergistic parameter space because of the ability to control individual photonic, electronic, and magnonic components. Taking advantage of the spin wave dispersion of YIG, the frequency self-generation as well as the related nonlinear processes become sensitive to the external magnetic field. Besides being known as a narrowband filter and a delay element, the YIG delayline possesses spin wave modes that can be controlled to mix with the optoelectronic modes to generate higher-order harmonic beating modes. With the high sensitivity and external tunability, the MOEO system may find usefulness in sensing applications in magnetism and spintronics beyond optoelectronics and photonics.",2011.06155v1 2021-11-08,A model for coupled $4f-3d$ magnetic spectra: a neutron scattering study of the Yb$-$Fe hybridisation in Yb$_3$Fe$_5$O$_{12}$,"In this work, we explore experimentally and theoretically the spectrum of magnetic excitations of the Fe$^{3+}$ and Yb$^{3+}$ ions in ytterbium iron garnet (Yb$_3$Fe$_5$O$_{12}$). We present a complete description of the crystal-field splitting of the $4f$ states of Yb$^{3+}$, including the effect of the exchange field generated by the magnetically ordered Fe subsystem. We also consider a further effect of the Fe-Yb exchange interaction, which is to hybridise the Yb crystal field excitations with the Fe spin-wave modes at positions in the Brillouin zone where the two types of excitations cross. We present detailed measurements of these hybridised excitations, and propose a framework which can be used in the quantitative analysis of the coupled spectra in terms of the anisotropic $4f-3d$ exchange interaction.",2111.04707v1 2022-03-29,Simulating challenging correlated molecules and materials on the Sycamore quantum processor,"Simulating complex molecules and materials is an anticipated application of quantum devices. With strong quantum advantage demonstrated in artificial tasks, we examine how such advantage translates into modeling physical problems of correlated electronic structure. We simulate static and dynamical electronic structure on a superconducting quantum processor derived from Google's Sycamore architecture for two representative correlated electron problems: the nitrogenase iron-sulfur molecular clusters, and $\alpha$-ruthenium trichloride, a proximate spin-liquid material. To do so, we simplify the electronic structure into low-energy spin models that fit on the device. With extensive error mitigation and assistance from classically simulated data, we achieve quantitatively meaningful results deploying about 1/5 of the gate resources used in artificial quantum advantage experiments on a similar architecture. This increases to over 1/2 of the gate resources when choosing a model that suits the hardware. Our work serves to convert artificial measures of quantum advantage into a physically relevant setting.",2203.15291v1 2023-05-04,Effective rectification of THz electromagnetic fields in a ferrimagnetic iron garnet,"It is found that single-cycle THz electromagnetic fields efficiently excite a GHz spin resonance mode in ferrimagnetic Tm$_3$Fe$_5$O$_{12}$, despite the near absence of GHz spectral components in the exciting THz pulse. By analyzing how the efficiency of excitation depends on the orientation and strength of the THz electric field, we show that it can be explained in terms of the nonlinear THz inverse Cotton-Mouton effect. Here, the THz electric field gets effectively rectified and acts on the ferrimagnetic spins as a uni-polar effective magnetic field pulse. This interpretation is confirmed by a theoretical model based on the phenomenological analysis of the effective magnetic field, combined with the equations of motion derived from the effective Lagrangian for a ferrimagnet. Moreover, by using the outcome of two-dimensional THz spectroscopy, we conjecture a quantum-mechanical interpretation of the observed effect in terms of stimulated Raman scattering of THz photons by the crystal-field split f-f electronic transitions of Tm$^{3+}$.",2305.02971v1 2023-05-14,An ab initio correction vector restricted active space approach to the L-edge XAS and 2p3d RIXS spectra of transition metal clusters,"We describe an ab initio approach to simulate L-edge X-ray absorption (XAS) and 2p3d resonant inelastic X-ray scattering (RIXS) spectroscopies. We model the strongly correlated electronic structure within a restricted active space and employ a correction vector formulation instead of sum-over-states expressions for the spectra, thus eliminating the need to calculate a large number of intermediate and final electronic states. We present benchmark simulations of the XAS and RIXS spectra of the iron complexes [FeCl4]^{-1/-2} and [Fe(SCH3)4]^{-1/-2} and interpret the spectra by deconvolving the correction vectors. Our approach represents a step towards simulating the X-ray spectroscopies of larger metal cluster systems that play a pivotal role in biology.",2305.08184v2 2023-10-03,Optical excitation of multiple standing spin modes in 3D optomagnonic nanocavities,"We report the first experimental observation of multiple standing spin modes in 3D optomagnonic nanocavity formed by nanometer-sized iron-garnet nanocylinder. We show that launching of standing spin modes is achieved due to a high confinement of the optically generated effective magnetic field caused by the localized optical resonance. Quantization and spin-wave mode inhomogeneity is achieved in each of the three spatial dimensions. The presented approach opens new horizons of 3D optomagnonics by combining nanophotonic and magnonic functionalities within a single nanocavity.",2310.01974v1 2023-11-27,Coherent control of photomagnetic back-switching by double-pump laser pulses,"The control of nonthermal, all-optical magnetization switching under the regime with an independent state of laser polarization opens up new opportunities for ultrafast magnetic recording. Here, we investigate the photo-magnetic back-switching capabilities of the write and erase magnetic domain pattern using double-pump pulse excitations in an iron garnet film with pure cubic magnetocrystalline symmetry. It is essential to note that forward and backward magnetization switching is achievable in two distinctive scenarios: using identical linearly polarized laser pulses and with pulses having orthogonal polarization planes. By observing the switch of magnetization at domains independent of the initial state, one can nonthermally toggle the magnetization, equivalent to XOR logical operation, at frequencies reaching up to 50 GHz.",2311.16336v2 2023-12-20,Non-equilibrium criticality at the onset of time-crystalline order in $O(N)$ models,"We explore the phase transitions at the onset of time-crystalline order in $O(N)$ models driven out-of-equilibrium. The spontaneous breaking of time translation symmetry and its Goldstone mode are captured by an effective description with $O(N)\times SO(2)$ symmetry. Using the renormalization group and the $\epsilon=4-d$ expansion in a leading two-loop analysis, we identify a new non-equilibrium universality class. Strikingly, it controls the long-distance physics no matter how small the microscopic breaking of equilibrium conditions is. The $O(N=2)\times SO(2)$ symmetry group is realized for magnon condensation in pumped yttirum iron garnet (YIG) films and in exciton-polariton systems with a polarization degree of freedom.",2312.13372v1 2020-12-17,Identifying the origin of the non-monotonic thickness dependence of spin-orbit torques and interfacial Dzyaloshinskii-Moriya interaction in a ferrimagnetic insulator heterostructure,"Electrical manipulation of magnetism via spin-orbit torques (SOTs) promises efficient spintronic devices. In systems comprising magnetic insulators and heavy metals, SOTs have started to be investigated only recently, especially in systems with interfacial Dzyaloshinskii-Moriya interaction (iDMI). Here, we quantitatively study the SOT efficiency and iDMI in a series of gadolinium gallium garnet (GGG) / thulium iron garnet (TmIG) / platinum (Pt) heterostructures with varying TmIG and Pt thicknesses. We find that the non-monotonic SOT efficiency as a function of the magnetic layer thickness is not consistent with the 1/thickness dependence expected from a simple interfacial SOT mechanism. Moreover, considering the insulating nature of TmIG, our results cannot be explained by the SOT mechanism established for metallic magnets where the transverse charge spin current can inject and dephase in the magnetic layers. Rather we can explain this non-monotonic behavior by a model based on the interfacial spin mixing conductance that is affected by the thickness-dependent exchange splitting energy by determining the phase difference of the reflected spin-up and spin-down electrons at the TmIG / Pt interface. By studying the Pt thickness dependence, we find that the effective DMI for GGG / TmIG / Pt does not depend on the Pt thickness, which indicates that the GGG / TmIG interface is the source of the iDMI in this system. Our work demonstrates that SOT and DMI can originate from two different interfaces, which enables independent optimization of DMI and SOT for advanced chiral spintronics with low damping magnetic insulators.",2012.09358v1 2022-08-29,Machine Learning guided high-throughput search of non-oxide garnets,"Garnets, known since the early stages of human civilization, have found important applications in modern technologies including magnetorestriction, spintronics, lithium batteries, etc. The overwhelming majority of experimentally known garnets are oxides, while explorations (experimental or theoretical) for the rest of the chemical space have been limited in scope. A key issue is that the garnet structure has a large primitive unit cell, requiring an enormous amount of computational resources. To perform a comprehensive search of the complete chemical space for new garnets,we combine recent progress in graph neural networks with high-throughput calculations. We apply the machine learning model to identify the potential (meta-)stable garnet systems before systematic density-functional calculations to validate the predictions. In this way, we discover more than 600 ternary garnets with distances to the convex hull below 100~meV/atom with a variety of physical and chemical properties. This includes sulfide, nitride and halide garnets. For these, we analyze the electronic structure and discuss the connection between the value of the electronic band gap and charge balance.",2208.13742v1 2014-11-03,The symmetry and magnetoelectric effects in garnet crystals and films,"The magnetoelectricity of garnets is considered by means of a symmetry and quantum mechanical combined analysis. It is shown, that the magnetoelectric effect is not realized in most garnets although the necessary condition of the crystal magnetic structure antisymmetry in them is held at low temperatures. Nevertheless, the effect can be observed in some garnets as well as other odd effects, namely, piezomagnetic effect, magnetic field evoked piezoelectric one, etc. It is also discovered that magnetic fields can induce specific antiferroelectric structures in garnet crystals and produce electric polarization in epitaxial films. The polarization can also be caused in a bulk crystal by an inhomogeneous magnetic field.",1411.0384v1 2019-06-02,Structural and Magnetic Properties of Er3Fe5-xAlxO12 Garnets,"Er3Fe5-xAlxO12 (0.0 < x < 0.8) garnets were prepared by ball milling and sintering at 1300 C. Rietveld refinement of the samples revealed a garnet structure with Ia3d symmetry. The lattice parameter, cell volume, X-ray density and magnetization of the prepared garnets decreased with the increase of Al content (x). The coercivity of the garnets increased with x, but remained generally low, being below 20 Oe. Low temperature magnetic measurements versus temperature indicated that the magnetization of x = 0.0 exhibited a compensation temperature at -186 C, however, x = 0.8 exhibited a minimum at a higher temperature of -134 C.",1906.00405v1 2021-11-23,Enhancement of functional properties of V$_{0.6}$Ti$_{0.4}$ alloy superconductor by the addition of yttrium,"We show here that the yttrium is immiscible and precipitates with various sizes in the body centred cubic V$_{0.6}$Ti$_{0.4}$ alloy superconductor. The number and size of the precipitates are found to depend on the amount of yttrium added. Precipitates with various sizes up to 30~$\mu$m are found in the V$_{0.6}$Ti$_{0.4}$ alloy containing 5 at.\% yttrium. The large amount of line disorders generated by the addition of yttrium in this alloy are found to be effective in pinning the magnetic flux lines. While the superconducting transition temperature increases with the increasing amount of yttrium in the V$_{0.6}$Ti$_{0.4}$ alloy, the critical current density is maximum for the alloy containing 2 at. \% yttrium, where it is more than 7.5 times the parent alloy in fields higher than 1~T. We found that the effectiveness of each type of defect in pinning the flux lines is dependent on the temperature and the applied magnetic filed.",2111.11670v1 2007-01-26,Stoichiometry of Electrostatic Complexes Determined by Light Scattering,"We report on the electrostatic complexation between oppositely charged polymers and inorganic nanoparticles investigated by static and dynamical light scattering. The nanoparticles put under scrutiny were citrate-coated nanocrystals of cerium oxide (CeO2, nanoceria), of iron oxide (Fe2O3, maghemite) and of europium-doped yttrium vanadate (Eu:YVO4) with sizes in the 10 nm range. For the polymers, we have used cationic-neutral diblock copolymers (poly(trimethylammonium ethylacrylate)-b-poly(acrylamide), hereafter referred to as PTEA-b-PAM) with different molecular weights. For the three colloidal dispersions, we show that the electrostatic complexation gives rise to the formation of stable nanoparticle clusters in the 100 nm range. The complexation was monitored by systematic measurements of the scattering intensity versus X, the mixing ratio between nanoparticles and polymers. For 5 nanoparticle/polymer pairs, namely CeO2/PTEA5K-b-PAM30K, Fe2O3/PTEA5K-b-PAM30K, Fe2O3/PTEA11K-b-PAM30K, Eu:YVO4/PTEA2K-b-PAM60K and Eu:YVO4/PTEA5K-b-PAM30K, we found a unique behavior : the scattering intensity exhibits a sharp and prominent peak in the intermediate X-range. To account for this behavior, we have developed a model which assumes that regardless of X, the mixed aggregates are formed at a fixed polymer-to-nanoparticle ratio. The agreement between the results and the model is excellent on the 5 systems. Results at different molecular weights suggest that the stoichiometry of the mixed aggregates is controlled by the electrostatic interactions between the opposite charges. The model allows to derive the molecular weight and the stoichiometry of the mixed aggregates.",0701662v1 2011-05-11,"s-Processing in the Galactic Disk. I. Super-Solar Abundances of Y, Zr, La, Ce in Young Open Clusters","In a recent study, based on homogeneous barium abundance measurements in open clusters, a trend of increasing [Ba/Fe] ratios for decreasing cluster age was reported. We present here further abundance determinations, relative to four other elements hav- ing important s-process contributions, with the aim of investigating whether the growth found for [Ba/Fe] is or not indicative of a general property, shared also by the other heavy elements formed by slow neutron captures. In particular, we derived abundances for yttrium, zirconium, lanthanum and cerium, using equivalent widths measurements and the MOOG code. Our sample includes 19 open clusters of different ages, for which the spectra were obtained at the ESO VLT telescope, using the UVES spectrometer. The growth previously suggested for Ba is confirmed for all the elements analyzed in our study. This fact implies significant changes in our views of the Galactic chemical evolution for elements beyond iron. Our results necessarily require that very low-mass AGB stars (M < 1.5M\odot) produce larger amounts of s-process elements (hence acti- vate the 13 C-neutron source more effectively) than previously expected. Their role in producing neutron-rich elements in the Galactic disk has been so far underestimated and their evolution and neutron-capture nucleosynthesis should now be reconsidered.",1105.2208v1 2014-02-17,Neutron-Capture Nucleosynthesis in the First Stars,"Recent studies suggest that metal-poor stars enhanced in carbon but containing low levels of neutron-capture elements may have been among the first to incorporate the nucleosynthesis products of the first generation of stars. We have observed 16 stars with enhanced carbon or nitrogen using the MIKE Spectrograph on the Magellan Telescopes at Las Campanas Observatory and the Tull Spectrograph on the Smith Telescope at McDonald Observatory. We present radial velocities, stellar parameters, and detailed abundance patterns for these stars. Strontium, yttrium, zirconium, barium, europium, ytterbium, and other heavy elements are detected. In four stars, these heavy elements appear to have originated in some form of r-process nucleosynthesis. In one star, a partial s-process origin is possible. The origin of the heavy elements in the rest of the sample cannot be determined unambiguously. The presence of elements heavier than the iron group offers further evidence that zero-metallicity rapidly-rotating massive stars and pair instability supernovae did not contribute substantial amounts of neutron-capture elements to the regions where the stars in our sample formed. If the carbon- or nitrogen-enhanced metal-poor stars with low levels of neutron-capture elements were enriched by products of zero-metallicity supernovae only, then the presence of these heavy elements indicates that at least one form of neutron-capture reaction operated in some of the first stars.",1402.4144v1 2016-04-19,The Solar Twin Planet Search III. The [Y/Mg] clock: estimating stellar ages of solar-type stars,"Solar twins are stars with similar stellar (surface) parameters to the Sun that can have a wide range of ages. This provide an opportunity to analyze the variation of their chemical abundances with age. Nissen (2015) recently suggested that the abundances of the s-process element Y and the $\alpha$-element Mg could be used to estimate stellar ages. This paper aims to determine with high precision the Y, Mg, and Fe abundances for a sample of 88 solar twins that span a broad age range ($0.3-10.0$\,Gyr) and investigate their use for estimating ages. We obtained high-quality Magellan Inamori Kyocera Echelle (MIKE) spectra and determined Y and Mg abundances using equivalent widths and a line-by-line differential method within a 1D LTE framework. Stellar parameters and iron abundances were measured in Paper I of this series for all stars, but a few (three) required a small revision. The [Y/Mg] ratio shows a strong correlation with age. It has a slope of -0.041$\pm$0.001 dex/Gyr and a significance of 41 $\sigma$. This is in excellent agreement with the relation first proposed by Nissen (2015). We found some outliers that turned out to be binaries where mass transfer may have enhanced the yttrium abundance. Given a precise measurement of [Y/Mg] with typical error of 0.02 dex in solar twins, our formula can be used to determine a stellar age with $\sim$0.8 Gyr precision in the 0 to 10 Gyr range.",1604.05733v1 2019-08-13,Heavy-metal enrichment in the intermediate He-sdOB pulsator Feige 46,"The intermediate He-enriched hot subdwarf star Feige 46 was recently reported as the second member of the V366 Aqr (or He-sdOBV) pulsating class. Feige 46 is very similar to the prototype of the class, LS IV$-$14116, not only in terms of pulsational properties, but also in terms of atmospheric parameters and kinematic properties. LS IV$-$14116 is additionally characterized by a very peculiar chemical composition, with extreme overabundances of the trans-iron elements Ge, Sr, Y, and Zr. In this paper, we investigate the possibility that the similitude between both pulsators extends to their chemical composition. We retrieved archived optical and UV spectroscopic observations of Feige 46 and perform an abundance analysis using model atmospheres and synthetic spectra computed with TLUSTY and SYNSPEC. In total, we derive abundances for 16 metallic elements and provide upper limits for four additional elements. From absorption lines in the optical spectrum of the star we measure an enrichment of more than 10 000$\times$ solar for yttrium and zirconium. As for strontium, the UV spectrum revealed it to be equally enriched. Our results confirm that Feige 46 is not only a member of the now growing group of ""heavy-metal"" subdwarfs, but also has an abundance pattern remarkably similar to that of LS IV$-$14116.",1908.04587v1 2021-04-19,Magnetic coupling in Y$_3$Fe$_5$O$_{12}$/Gd$_3$Fe$_5$O$_{12}$ heterostructures,"Ferrimagnetic Y$_3$Fe$_5$O$_{12}$ (YIG) is the prototypical material for studying magnonic properties due to its exceptionally low damping. By substituting the yttrium with other rare earth elements that have a net magnetic moment, we can introduce an additional spin degree of freedom. Here, we study the magnetic coupling in epitaxial Y$_3$Fe$_5$O$_{12}$/Gd$_3$Fe$_5$O$_{12}$ (YIG/GIG) heterostructures grown by pulsed laser deposition. From bulk sensitive magnetometry and surface sensitive spin Seebeck effect (SSE) and spin Hall magnetoresistance (SMR) measurements, we determine the alignment of the heterostructure magnetization through temperature and external magnetic field. The ferromagnetic coupling between the Fe sublattices of YIG and GIG dominates the overall behavior of the heterostructures. Due to the temperature dependent gadolinium moment, a magnetic compensation point of the total bilayer system can be identified. This compensation point shifts to lower temperatures with increasing thickness of YIG due the parallel alignment of the iron moments. We show that we can control the magnetic properties of the heterostructures by tuning the thickness of the individual layers, opening up a large playground for magnonic devices based on coupled magnetic insulators. These devices could potentially control the magnon transport analogously to electron transport in giant magnetoresistive devices.",2104.09592v1 2024-02-09,Signatures of Nuclear Isomers in Gamma-Ray Bursts from Binary Neutron Star Mergers,"Neutron star mergers are astrophysical `gold mines,' synthesizing over half of the elements heavier than iron through rapid neutron capture nucleosynthesis. The observation of the binary neutron star merger GW170817, detected both in gravitational waves and electromagnetic radiation, marked a breakthrough. One electromagnetic component of this event, the gamma ray burst GRB 170817A, has an unresolved aspect: the characteristics of its prompt gamma-ray emission spectrum. In this work, we propose that gamma-ray spectra in such GRBs may be influenced by de-excitations from isomeric transitions. Our study begins with a review of current knowledge on GRB structure and of r-process nucleosynthesis in neutron star collisions, focusing on the role of nuclear isomers in these settings. We then test our hypothesis by developing criteria to select representative isomers, based on known solar element abundances, for modeling GRB spectral characteristics. We integrate these criteria into an interactive web page, facilitating the construction and analysis of relevant gamma-ray spectra from isomeric transitions. Our analysis reveals that three isomers (zirconium, lead and yttrium) stand out for their potential to impact the prompt GRB spectrum due to their specific properties. This information allows us to incorporate nuclear isomer data into astrophysical simulations and calculate isomeric abundances generated by astrophysical r-processes in neutron star mergers and their imprint on the detected signal.",2402.06498v1 2021-03-30,"Enormous Berry-Curvature-Driven Anomalous Hall Effect in Topological Insulator (Bi,Sb)2Te3 on Ferrimagnetic Europium Iron Garnet beyond 400 K","To realize the quantum anomalous Hall effect (QAHE) at elevated temperatures, the approach of magnetic proximity effect (MPE) was adopted to break the time-reversal symmetry in the topological insulator (Bi0.3Sb0.7)2Te3 (BST) based heterostructures with a ferrimagnetic insulator europium iron garnet (EuIG) of perpendicular magnetic anisotropy. Here we demonstrate phenomenally large anomalous Hall resistance (RAHE) exceeding 8 {\Omega} (\r{ho}AHE of 3.2 {\mu}{\Omega}*cm) at 300 K and sustaining to 400 K in 35 BST/EuIG samples, surpassing the past record of 0.28 {\Omega} (\r{ho}AHE of 0.14 {\mu}{\Omega}*cm) at 300 K. The remarkably large RAHE as attributed to an atomically abrupt, Fe-rich interface between BST and EuIG. Importantly, the gate dependence of the AHE loops shows no sign change with varying chemical potential. This observation is supported by our first-principles calculations via applying a gradient Zeeman field plus a contact potential on BST. Our calculations further demonstrate that the AHE in this heterostructure is attributed to the intrinsic Berry curvature. Furthermore, for gate-biased 4 nm BST on EuIG, a pronounced topological Hall effect (THE) coexisting with AHE is observed at the negative top-gate voltage up to 15 K. Interface tuning with theoretical calculations has opened up new opportunities to realize topologically distinct phenomena in tailored magnetic TI-based heterostructures.",2103.16487v4 2008-01-17,Towards the theory of ferrimagnetism,"Two-sublattice ferrimagnet, with spin-$s_1$ operators $\bf{S_{1i}}$ at the sublattice $A$ site and spin-$s_2$ operators $\bf{S_{2i}}$ at the sublattice $B$ site, is considered. The magnon of the system, the transversal fluctuation of the total magnetization, is a complicate mixture of the transversal fluctuations of the sublattice $A$ and $B$ spins. As a result, the magnons' fluctuations suppress in a different way the magnetic orders of the $A$ and $B$ sublattices and one obtains two phases. At low temperature $(0,T^*)$ the magnetic orders of the $A$ and $B$ spins contribute to the magnetization of the system, while at the high temperature $(T^*,T_N)$, the magnetic order of the spins with a weaker intra-sublattice exchange is suppressed by magnon fluctuations, and only the spins with stronger intra-sublattice exchange has non-zero spontaneous magnetization. The $T^*$ transition is a transition between two spin-ordered phases in contrast to the transition from spin-ordered state to disordered state ($T_N$-transition). There is no additional symmetry breaking, and the Goldstone boson has a ferromagnetic dispersion in both phases. A modified spin-wave theory is developed to describe the two phases. All known Neel's anomalous $M(T)$ curves are reproduced, in particular that with ""compensation point"". The theoretical curves are compared with experimental ones for sulpho-spinel $MnCr2S_{4-x}Se_{x}$ and rare earth iron garnets.",0801.2651v1 2013-11-07,Linear Response Theory for the Density Matrix Renormalization Group: Efficient Algorithms for Strongly Correlated Excited States,"Linear response theory for the density matrix renormalization group (DMRG-LRT) was first presented in terms of the DMRG renormalization projectors [Dorando et al., J. Chem. Phys. 130, 184111 (2009)]. Later, with an understanding of the manifold structure of the matrix product state (MPS) ansatz, which lies at the basis of the DMRG algorithm, a way was found to construct the linear response space for general choices of the MPS gauge in terms of the tangent space vectors [Haegeman et al., Phys. Rev. Lett. 107, 070601 (2011)]. These two developments led to the formulation of the Tamm-Dancoff and random phase approximations (TDA and RPA) for MPS. This work describes how these LRTs may be efficiently implemented through minor modifications of the DMRG sweep algorithm, at a computational cost which scales the same as the ground-state DMRG algorithm. In fact, the mixed canonical MPS form implicit to the DMRG sweep is essential for efficient implementation of the RPA, due to the structure of the second-order tangent space. We present ab initio DMRG-TDA results for excited states of polyenes, the water molecule, and a [2Fe-2S] iron-sulfur cluster.",1311.1646v1 2016-07-10,"Origin of Fe3+ in Fe-containing, Al-free Mantle Silicate Perovskite","We have studied the ferrous (Fe2+) and ferric (Fe3+) iron concentrations in Al-free Fe containing Mg-silicate perovskite (Mg-Pv) at pressure (P), temperature (T), and oxygen fugacity (fO2) conditions related to the lower mantle using a thermodynamic model based on ab-initio calculations. We consider the oxidation reaction and the charge disproportionation reaction, both of which can produce Fe3+ in Mg-Pv. The model shows qualitatively good agreement with available experimental data on Fe3+/{\Sigma}Fe ({\Sigma}Fe = total Fe in system), spin transitions, and equations of state. We predict that under lower-mantle conditions Fe3+/{\Sigma}Fe determined by the charge disproportionation is estimated to be 0.01-0.07 in Al-free Mg-Pv, suggesting that low Al Mg-Pv in the uppermost pyrolitic mantle (where majoritic garnet contains most of the Al) and in the harzburgitic heterogeneities throughout the lower mantle contains very little Fe3+. We find that the volume reduction by the spin transition of the B-site Fe3+ leads to a minimum Fe3+/{\Sigma}Fe in Mg-Pv at mid-mantle pressures. The model shows that configurational entropy is a key driving force to create Fe3+ and therefore Fe3+ content is highly temperature sensitive. The temperature sensitivity may lead to a maximum Fe3+/{\Sigma}Fe in Mg-Pv in warm regions at the core-mantle boundary region, such as Large Low Shear Velocity Provinces (LLSVPs), potentially altering the physical (e.g., bulk modulus) and transport (e.g., thermal and electrical conductivities) properties of the heterogeneities.",1607.02777v1 2017-05-24,Deficiency of the Bulk Spin Hall Effect Model for Spin-Orbit Torques in Magnetic Insulator/Heavy Metal Heterostructures,"Electrical currents in a magnetic insulator/heavy metal heterostructure can induce two simultaneous effects, namely, spin Hall magnetoresistance (SMR) on the heavy metal side and spin-orbit torques (SOTs) on the magnetic insulator side. Within the framework of the pure spin current model based on the bulk spin Hall effect (SHE), the ratio of the spin Hall-induced anomalous Hall effect (SH-AHE) to SMR should be equal to the ratio of the field-like torque (FLT) to damping-like torque (DLT). We perform a quantitative study of SMR, SH-AHE, and SOTs in a series of thulium iron garnet/platinum or Tm3Fe5O12/Pt heterostructures with different Tm3Fe5O12 thicknesses, where Tm3Fe5O12 is a ferrimagnetic insulator with perpendicular magnetic anisotropy. We find the ratio between measured effective fields of FLT and DLT is at least 2 times larger than the ratio of the SH-AHE to SMR. In addition, the bulk SHE model grossly underestimates the spin torque efficiency of FLT. Our results reveal deficiencies of the bulk SHE model and also address the importance of interfacial effects such as the Rashba and magnetic proximity effects in magnetic insulator/heavy metal heterostructures.",1705.08919v1 2018-02-09,TMOKE as efficient tool for the magneto-optic analysis of ultra-thin magnetic films,"Ultra-thin magnetic dielectric films are of prime importance due to their applications for nanophotonics and spintronics. Here, we propose an efficient method for the magneto-optical investigation of ultra-thin magnetic films which allows one to access their state of magnetization and magneto-optical properties. It is based on the surface-plasmon-polariton-assisted transverse magneto-optical Kerr effect (TMOKE). In our experiments, sub-100 nm-thick bismuth-substituted lutetium iron-garnet films covered with a plasmonic gold grating have been analyzed. The excitation of surface plasmon-polaritons provides resonance enhancement of TMOKE up to 0.04 and makes it easily detectable in the experiment. For films thicker than 40 nm, the TMOKE marginally depends on the film thickness. A further decrease in the film thickness diminishes TMOKE since for such thicknesses the surface plasmon-polariton field partly penetrates inside the non-magnetic substrate. Nevertheless, the TMOKE remains measurable even for few-nm-thick films, which makes this technique unique for the magneto-optical study of ultra-thin films. Particularly, the proposed method reveals that the off-diagonal components of the magnetic film permittivity tensor grow slightly with the reduction of the film thickness.",1802.04111v1 2018-02-23,Pure spin currents in magnetically ordered insulator/normal metal heterostructures,"Pure spin currents, i.e. the transport of angular momentum without an accompanying charge current, represent a new, promising avenue in modern spintronics from both a fundamental and an application point of view. Such pure spin currents can not only flow in electrical conductors via mobile charge carriers, but also in magnetically ordered electrical insulators as a flow of spin excitation quanta. Over the course of the last years remarkable results have been obtained in heterostructures consisting of magnetically ordered insulators interfaced with a normal metal, where a pure spin current flows across the interface. This topical review article deals with the fundamental principles, experimental findings and recent developments in the field of pure spin currents in magnetically ordered insulators. We here put our focus onto four different manifestations of pure spin currents in such heterostructures: The spin pumping effect, the longitudinal spin Seebeck effect, the spin Hall magnetoresistance and the all-electrical detection of magnon transport in non-local device concepts. In this article, we utilize a common theoretical framework to explain all four effects and explain important material systems (especially rare-earth iron garnets) used in the experiments. For each effect we introduce basic measurement techniques and detection schemes and discuss their application in the experiment. We account for the remarkable progress achieved in each field by reporting the recent progress in each field and by discussing research highlights obtained in our group. Finally, we conclude the review article with an outlook on future challenges and obstacles in the field of pure spin currents in magnetically ordered insulator / normal metal heterostructures.",1802.08479v1 2018-05-14,Optically Pumped Floquet States of Magnetization in Ferromagnets,"Floquet states have been subject of great research interest since Zel'dovich's pioneering work on the quasienergy of a quantum system subject to a temporally periodic action. Nowadays periodic modulation of the system Hamiltonian is mostly achieved by microwaves leading to novel exciting phenomena in condensed matter physics: Floquet topological insulators, chiral edge states etc. On the other hand, nonthermal optical control of magnetization at picosecond time scales is currently a highly appealing research topic for potential applications in magnetic data storage. Here we combine these two concepts to investigate Floquet states in the system of exchange-coupled spins in a ferromagnet. We periodically perturb the magnetization of an iron-garnet film by a train of circularly-polarized femtosecond laser pulses hitting the sample at 1 GHz repetition rate and monitor the magnetization dynamics behaving like a Floquet state. An external magnetic field allows tuning of the Floquet states leading to a pronounced increase of the precession amplitude by one order of magnitude at the center of the Brillouin zone, i.e. when the precession frequency is a multiple of the laser pulse repetition rate. Floquet states might potentially allow for parametric generation of magnetic oscillations. The observed phenomena expand the capabilities of coherent ultrafast optical control of magnetization and pave a way for their application in quantum computation or data processing.",1805.05822v1 2018-08-08,Low rank representations for quantum simulation of electronic structure,"The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes simulation based on such primitives challenging. We substantially reduce the gate complexity of such primitives through a two-step low-rank factorization of the Hamiltonian and cluster operator, accompanied by truncation of small terms. Using truncations that incur errors below chemical accuracy, we are able to perform Trotter steps of the arbitrary basis electronic structure Hamiltonian with $\mathcal{O}(N^3)$ gate complexity in small simulations, which reduces to $\mathcal{O}(N^2 \log N)$ gate complexity in the asymptotic regime, while our unitary Coupled Cluster Trotter step has $\mathcal{O}(N^3)$ gate complexity as a function of increasing basis size for a given molecule. In the case of the Hamiltonian Trotter step, these circuits have $\mathcal{O}(N^2)$ depth on a linearly connected array, an improvement over the $\mathcal{O}(N^3)$ scaling assuming no truncation. As a practical example, we show that a chemically accurate Hamiltonian Trotter step for a 50 qubit molecular simulation can be carried out in the molecular orbital basis with as few as 4,000 layers of parallel nearest-neighbor two-qubit gates, consisting of fewer than 100,000 non-Clifford rotations. We also apply our algorithm to iron-sulfur clusters relevant for elucidating the mode of action of metalloenzymes.",1808.02625v2 2019-04-15,Topological Hall effect at above room temperature in heterostructures composed of a magnetic insulator and a heavy metal,"Non-volatile memory and computing technology rely on efficient read and write of ultra-tiny information carriers that do not wear out. Magnetic skyrmions are emerging as a potential carrier since they are topologically robust nanoscale spin textures that can be manipulated with ultralow current density. To date, most of skyrmions are reported in metallic films, which suffer from additional Ohmic loss and thus high energy dissipation. Therefore, skyrmions in magnetic insulators are of technological importance for low-power information processing applications due to their low damping and the absence of Ohmic loss. Moreover, they attract fundamental interest in studying various magnon-skyrmion interactions11. Skyrmions have been observed in one insulating material Cu2OSeO3 at cryogenic temperatures, where they are stabilized by bulk Dzyaloshinskii-Moriya interaction. Here, we report the observation of magnetic skyrmions that survive above room temperature in magnetic insulator/heavy metal heterostructures, i.e., thulium iron garnet/platinum. The presence of these skyrmions results from the Dzyaloshinskii-Moriya interaction at the interface and is identified by the emergent topological Hall effect. Through tuning the magnetic anisotropy via varying temperature, we observe skyrmions in a large window of external magnetic field and enhanced stability of skyrmions in the easy-plane anisotropy regime. Our results will help create a new platform for insulating skyrmion-based room temperature low dissipation spintronic applications.",1904.07107v1 2019-06-17,Interfacial Dzyaloshinskii-Moriya interaction and chiral magnetic textures in a ferrimagnetic insulator,"The interfacial Dzyaloshinskii-Moriya interaction (DMI) in multilayers of heavy metal and ferromagnetic metals enables the stabilization of novel chiral spin structures such as skyrmions. Magnetic insulators, on the other hand can exhibit enhanced dynamics and properties such as lower magnetic damping and therefore it is of interest to combine the properties enabled by interfacial DMI with insulating systems. Here, we demonstrate the presence of interfacial DMI in heterostructures that include insulating magnetic layers. We use a bilayer of perpendicularly magnetized insulating thulium iron garnet (TmIG) and the heavy metal platinum, and find a surprisingly strong interfacial DMI that, combined with spin-orbit torque results, in efficient switching. The interfacial origin is confirmed through thickness dependence measurements of the DMI, revealing the characteristic 1/thickness dependence with one order of magnitude longer decay length compared to metallic layers. We combine chiral spin structures and spin-orbit torques for efficient switching and identify skyrmions that allow us to establish the GGG/TmIG interface as the origin of the DMI.",1906.07142v3 2019-08-18,Electron g-factor engineering for non-reciprocal spin photonics,"We study the interplay of electron and photon spin in non-reciprocal materials. Traditionally, the primary mechanism to design non-reciprocal photonic devices has been magnetic fields in conjunction with magnetic oxides, such as iron garnets. In this work, we present an alternative paradigm that allows tunability and reconfigurability of the non-reciprocity through spintronic approaches. The proposed design uses the high-spin-orbit coupling of a narrow-band gap semiconductor (InSb) with ferromagnetic dopants. A combination of the intrinsic and a gate-applied electric field gives rise to a strong external Rashba spin-orbit coupling (RSOC) in a magnetically doped InSb film. The RSOC which is gate alterable is shown to adjust the magnetic permeability tensor via the electron g-factor of the medium. We use electronic band structure calculations (k$\cdot$p theory) to show the gate-adjustable RSOC manifest itself in the non-reciprocal coefficient of photon fields via shifts in the Kerr and Faraday rotations. In addition, we show that photon spin properties of dipolar emitters placed in the vicinity of a non-reciprocal electromagnetic environment is distinct from reciprocal counterparts. The Purcell factor (F$_{p}$) of a spin-polarized emitter (right-handed circular dipole) is significantly enhanced due to a larger g-factor while a left-handed dipole remains essentially unaffected. Our work can lead to electron spin controlled reconfigurable non-reciprocal photonic devices.",1908.06393v2 2020-09-25,Temperature dependence of the damping parameter in the ferrimagnet Gd$_3$Fe$_5$O$_{12}$,"The damping parameter ${\alpha}_{\text{FM}}$ in ferrimagnets defined according to the conventional practice for ferromagnets is known to be strongly temperature dependent and diverge at the angular momentum compensation temperature, where the net angular momentum vanishes. However, recent theoretical and experimental developments on ferrimagnetic metals suggest that the damping parameter can be defined in such a way, which we denote by ${\alpha}_{\text{FiM}}$, that it is free of the diverging anomaly at the angular momentum compensation point and is little dependent on temperature. To further understand the temperature dependence of the damping parameter in ferrimagnets, we analyze several data sets from literature for a ferrimagnetic insulator, gadolinium iron garnet, by using the two different definitions of the damping parameter. Using two methods to estimate the individual sublattice magnetizations, which yield results consistent with each other, we found that in all the used data sets, the damping parameter ${\alpha}_{\text{FiM}}$ does not increase at the angular compensation temperature and shows no anomaly whereas the conventionally defined ${\alpha}_{\text{FM}}$ is strongly dependent on the temperature.",2009.12073v2 2021-02-13,Accumulation and control of spin waves in magnonic dielectric microresonators by a comb of ultrashort laser pulses,"Spin waves in magnetic microresonators are at the core of modern magnonics. Here we demonstrate a new method of tunable excitation of different spin wave modes in magnetic microdisks by using a train of laser pulses coming at a repetition rate higher than the decay rate of spin precession. The microdisks are etched in a transparent bismuth iron garnet film and the light pulses influence the spins nonthermally through the inverse Faraday effect. The high repetition rate of the laser stimulus of 10 GHz establishes an interplay between the spin wave resonances in the frequency and momentum domains. As a result, scanning of the focused laser spot near the disk boarder changes interference pattern of the magnons and leads to a resonant dependence of the spin wave amplitude on the external magnetic field. Apart from that, we achieved a switching between volume and surface spin waves by a small variation of the external magnetic field.",2102.07021v4 2021-07-14,Sublattice spin reversal and field induced $Fe^{3+}$ spin-canting across the magnetic compensation temperature in $Y_{1.5}Gd_{1.5}Fe_{5}O_{12}$ rare-earth iron garnet,"In the present work $Fe^{3+}$ sublattice spin reversal and $Fe^{3+}$ spin-canting across the magnetic compensation temperature ($T_{Comp}$) are demonstrated in polycrystalline $Y_{1.5}Gd_{1.5}Fe_{5}O_{12}$ (YGdIG) by means of in-field $^{57}Fe$ M$\ddot{o}$ssbauer spectroscopy measurements. Corroborating in-field $^{57}Fe$ M$\ddot{o}$ssbauer measurements, both $Fe^{3+}$ & $Gd^{3+}$ sublattice spin reversal has also been manifested with x-ray magnetic circular dichroism (XMCD) measurement in hard x-ray region. Moreover from in-field $^{57}Fe$ M$\ddot{o}$ssbauer measurements, estimation and analysis of effective internal hyperfine field ($H_{eff}$), relative intensity of absorption lines in a sextet elucidated unambiguously the signatures of $Fe^{3+}$ spin reversal, their continuous transition and field induced spin-canting of $Fe^{3+}$ sublattices across $T_{Comp}$. Further, Fe K- (Gd $L_{3}$-) edge XMCD signal is observed to consist of additional spectral features, those are identified from $Gd^{3+}$ ($Fe^{3+}$) magnetic ordering, enabling us the extraction of both the sublattices ($Fe^{3+}$ & $Gd^{3+}$) information from a single edge analysis. The evolution of the magnetic moments as a function of temperature for both magnetic sublattices extracted either at the Fe K- or Gd $L_3$-edge agree quite well with values that are extracted from bulk magnetization data of YGdIG and YIG ($Y_{3}Fe_{5}O_{12}$). These measurements pave new avenues to investigate how the magnetic behavior of such complex system acts across the compensation point.",2107.06508v3 2022-11-30,Unconventional spin dynamics in the non-collinear phase of a ferrimagnet,"Ferrimagnets containing several partially compensated magnetic sublattices are considered the most promising materials for all-optical data storage and for ultrafast communications based on spin waves. There are two magnetic phases of the ferrimagnets: collinear and non-collinear ones. Up to now spin dynamics in ferrimagnets has been studied mostly in the collinear state without paying much attention to the kind of the magnetic phase. Here we investigate laser induced ultrafast spin dynamics in a rare-earth iron garnet film in the noncollinear phase as well. We identify a crucial influence of the magnetic phase on the excited spin modes which allowed us to discover several prominent effects previously overlooked. In particular, the non-collinearity makes the quasi-antiferromagnetic mode sensitive to the external magnetic field and brings its frequency close to the frequency of the quasiferromagnetic mode. The latter maximizes near the magnetization compensation point and vanishes towards the collinear phase. Spectacularly, at the phase transition the quasiferromagnetic mode becomes soft and its amplitude significantly increases reaching 7{\deg}. This opens new opportunities for the ultrafast control of spins in ferrimagnets for nonthermal data storage and data processing.",2212.00085v2 2023-01-27,Field-free switching of perpendicular magnetization in an ultrathin epitaxial magnetic insulator,"For energy efficient and fast magnetic memories, switching of perpendicular magnetization by the spin-orbit torque (SOT) appears as a very promising solution, even more using magnetic insulators that suppress electrical shunting. This SOT switching generally requires the assistance of an in-plane magnetic field to break the symmetry. Here, we present experiments demonstrating the field-free SOT switching of perpendicularly magnetized layers of the thulium iron garnet (Tm_{3}Fe_{5}O_{12}) magnetic insulator. The polarity of the switching loops, clockwise (CW) or counter-clockwise (CCW), is determined by the direction of the initial current pulses, in contrast with field-assisted switchings in which this polarity is controlled by the direction of the field. After an independent determination of Dzyaloshinskii-Moriya interaction (DMI), we relate the field free switching to the interplay of SOT and DMI and the polarity of the loops to the imprint of a N\'eel domain wall induced by the first pulse, in agreement with Kerr imaging. Our observation and interpretation of field-free electrical switching of a magnetic insulator is an important milestone for future low power spintronic devices.",2301.11469v1 2023-11-16,Ultrafast all-optical toggle writing of magnetic bits without relying on heat,"While in accordance with Curie's principle, one would intuitively expect that symmetry of the cause has to be found in the symmetry of the effect, ultrafast excitation of matter is able to violate this principle. For instance, it is believed that heating alone, obviously not having the symmetry of a magnetic field, cannot result in a deterministic reversal of magnetization. However, if the heating is induced by a femtosecond laser pulse and thus ultrafast, it does facilitate toggle switching of magnetization between stable bit-states without any magnetic field at all. Here we show that the regime of ultrafast toggle switching can be also realized via a mechanism without relying on any heat. The obvious mismatch between symmetries of the cause and the response can thus be seen as a violation of Curie's principle. In particular, ultrafast laser excitation of iron-garnet with linearly polarized light modifies magnetic anisotropy and thus causes toggling magnetization between two stable bit states. In contrast to the laser-heat-induced magnetization reversal, this new regime of 'cold' toggle switching can be observed in ferrimagnets without the compensation point and in an exceptionally broad temperature range. The control of magnetic anisotropy required for the toggle switching is accompanied by lower dissipations, than in the mechanism of laser-induced-heating, but the dissipations and the switching-time are shown to be competing parameters.",2311.10173v2 2012-01-16,Fluorine abundances in dwarf stars of the solar neighbourhood,"In spite of many observational efforts aiming to characterize the chemical evolution of our Galaxy, not much is known about the origin of fluorine (F). Models suggest that the F found in the Galaxy might have been produced mainly in three different ways, namely, Type II supernovae, asymptotic giant branch nucleosynthesis, or in the core of Wolf-Rayet stars. Only a few observational measurements of F abundances are available in the literature and mostly for objects whose characteristics might hamper an accurate determination of fluorine abundance (e.g.,complex mixing and nucleosynthesis processes, external/internal contamination). We derive the F abundances for a set of nine cool main-sequence dwarfs in the solar neighbourhood, based on an unblended line of the HF molecule at 2.3 microns. In addition, we study the s-process elements of five of these stars. We acquire data using the high-resolution IR-spectrograph CRIRES and gather FEROS data from the European Southern Observatory archive. Several of the analysed stars seem to be slightly fluorine enhanced with respect to the Sun, although no correlation is found between the F abundance and the iron content. In addition, the most fluorine enriched stars are also yttrium and zirconium enriched, which suggests that AGB fluorine nucleosynthesis is the dominant source of fluorine production for the observed stars. Nevertheless, the correlation between [F/Fe] and the s-elements is rather weak and possibly masked by the uncertainties in the F abundance measurements. Finally, we compare our derived F abundances to previous measurements of alpha-element and iron-peak element abundances. Type II core collapse Supernovae do not appear to be the main site of F production for our targets, as no correlation seems to exist between the [F/Fe] and the [alpha/Fe] ratios.",1201.3193v1 2016-11-05,Discovery of a variable lead-rich hot subdwarf: UVO 0825+15,"UVO0825+15 is a hot bright helium-rich subdwarf which lies in {\it K2} Field 5 and in a sample of intermediate helium-rich subdwarfs observed with {\it Subaru/HDS}. The {\it K2} light curve shows low-amplitude variations, whilst the {\it Subaru} spectrum shows Pb{\sc iv} absorption lines, indicative of a very high lead overabundance. UVO0825+15 also has a high proper motion with kinematics typical for a thick disk star. Analyses of ultraviolet and intermediate dispersion optical spectra rule out a short-period binary companion, and provide fundamental atmospheric parameters of $T_{\rm off}=38\,900\pm270$\,K, $\log g/{\rm cm\,s^{-2}}=5.97\pm0.11$, $\log n_{\rm He}/n_{\rm H}=-0.57\pm0.01$, $E_{B-V}\approx0.03$, and angular radius $\theta = 1.062\pm0.006\times10^{-11}$ radians (formal errors). The high-resolution spectrum shows that carbon is $>2$ dex subsolar, iron is approximately solar and all other elements heavier than argon are at least 2 -- 4 dex overabundant, including germanium, yttrium and lead. Approximately 150 lines in the blue-optical spectrum remain unidentified. The chemical structure of the photosphere is presumed to be determined by radiatively-dominated diffusion. The {\it K2} light curve shows a dominant period around 10.8\,h, with a variable amplitude, its first harmonic, and another period at 13.3\,h. The preferred explanation is multi-periodic non-radial oscillation due to g-modes with very high radial order, although this presents difficulties for pulsation theory. Alternative explanations fail for lack of radial-velocity evidence. UVO0825+15 represents the fourth member of a group of hot subdwarfs having helium-enriched photospheres and 3--4 dex overabundances of trans-iron elements, and is the first lead-rich subdwarf to show evidence of pulsations.",1611.01616v1 2009-08-24,Enhancement in transition temperature and critical current density of CeO0.8F0.2FeAs by yttrium doping,"We report significant enhancement in superconducting properties of yttrium substituted Ce1-xYxOFFeAs superconductors. The polycrystalline samples were prepared by two step solid state reaction technique. X-ray diffraction confirmed tetragonal ZrCuSiAs structure with decrease in both a and c lattice parameters on increasing yttrium substitution (with fixed F content). With smaller ion Y in place of Ce, the transition temperature increased by 6 K. Yttrium doping also lead to higher critical fields as well as stronger inter and intra-granular current density. The magnetization critical current density increased by an order of magnitude at 30 K and 1 T magnetic field.",0908.3372v1 2016-10-23,Development of Yttrium alloy ion source and its application in nanofabrication,"We present a new YAuSi Liquid Metal Alloy Ion Source (LMAIS), generating focused ion beams of yttrium ions, and its prospective applications for nanofabrication, sample preparation, lithographic and implantation processes. Working parameters of the AuSiY LMAIS are similar to other gold-silicon based LMAIS. We found anomalously high emission current of triple charged Yttrium ions. Influence of Yttrium implantation on optical qualities of the implanted ion-ensembles is shown in luminescence of co-implanted Erbium ions.",1610.07166v1 2020-04-02,Synthesis and $\textit{in-situ}$ characterization of photochromic yttrium oxyhydride grown by reactive $e^-$-beam evaporation,"We report on controlled growth of photochromic yttrium oxyhydride thin films monitored by $\textit{in-situ}$ composition depth profiling. Films were grown by reactive $e^-$-beam evaporation and subsequently oxidized, while simultaneously tracking the oxygen and hydrogen concentrations. Sample composition and photochromic response were characterized $\textit{in-situ}$ using non destructive ion beam analysis and image analysis, respectively - as well as complementary $\textit{ex-situ}$ ion beam methods, X-ray diffraction and optical spectrophotometry. We show that photochromic yttrium oxyhydride can be grown as yttrium dihydride, which is then oxidized to O/H ratios triggering the photochromic response.",2004.01093v2 2006-07-06,Electronic Structure and Electron-Phonon Interaction in Hexagonal Yttrium,"To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp) yttrium, stable up to around 44 GPa, using density-functional-based methods. Our results show that as one goes from hcp yttrium to dhcp yttrium, there is (i) a substantial charge-transfer from s->d with extensive modifications of the d-band and a sizable reduction in the density of states at the Fermi energy, (ii) a substantial stiffening of phonon modes with the electron-phonon coupling covering the entire frequency range, (iii) an increase in the electron-phonon coupling constant \lambda from 0.55 to 1.24, leading to a change in the superconducting transition temperature T_c from 0.3 K to 15.3 K for \mu*=0.2.",0607176v3 2004-02-24,Frustrated Ising model on the garnet lattice,"We investigate a frustrated Ising spin system on the garnet lattice composed of a specific network of corner-sharing triangles. By means of Monte Carlo simulations with the heat bath algorithm, we discuss the magnetic properties at finite temperatures. It is shown that the garnet spin system with the nearest-neighbor couplings does not exhibit any magnetic transitions, yielding the large residual entropy at zero temperature. We also investigate the effect of the long-range dipolar interaction systematically to determine the phase diagram of the Ising model on the garnet lattice. We find that there appear a variety of distinct phases depending on the cutoff length of the long-range interaction, in contrast to the pyrochlore spin-ice systems.",0402604v1 2009-09-25,The magnetic properties of the Garnet and glass forms of Mn3Al2Si3O12,"The magnetic susceptibilities and specific heats of the crystalline garnet and glass forms of Mn3Al2Si3O12 are reported. This allows a direct comparison of the degree of magnetic frustration of the triangle-based garnet lattice and the structurally disordered solid at the same composition for isotropic spin 5/2 Mn^2+ (3d^5). The results show that the glass phase shows more pronounced signs of magnetic frustration than the crystalline phase. Through comparison of the specific heats of Ca3Al2Si3O12 (grossular) and Mn3Al2Si3O12 (spessartine) garnets, information is provided concerning the anomalous extra specific heat in the latter material.",0909.4720v1 2021-04-30,Current-Induced Magnetization Control in Insulating Ferrimagnetic Garnets,"The research into insulating ferrimagnetic garnets has gained enormous momentum in the past decade. This is partly due to the improvement in the techniques to grow high-quality ultrathin films with desirable properties and the advances in understanding the spin transport within the ferrimagnetic garnets and through their interfaces with conducting materials. In recent years, we have seen remarkable progress in controlling the magnetization state of ferrimagnetic garnets by electrical means in suitable heterostructures and device architectures. These advances have readily placed ferrimagnetic garnets in a favorable position for the future development of insulating spintronic concepts. The purpose of this article is to review recent experimental results of the current-induced magnetization control and associated phenomena in ferrimagnetic garnets, as well as to discuss future directions in this rapidly evolving area of spintronics.",2104.14819v1 2017-06-19,A Large-Diameter Hollow-Shaft Cryogenic Motor Based on a Superconducting Magnetic Bearing for Millimeter-Wave Polarimetry,"In this paper we present the design and measured performance of a novel cryogenic motor based on a superconducting magnetic bearing (SMB). The motor is tailored for use in millimeter-wave half-wave plate (HWP) polarimeters, where a HWP is rapidly rotated in front of a polarization analyzer or polarization-sensitive detector. This polarimetry technique is commonly used in cosmic microwave background (CMB) polarization studies. The SMB we use is composed of fourteen yttrium barium copper oxide (YBCO) disks and a contiguous neodymium iron boron (NdFeB) ring magnet. The motor is a hollow-shaft motor because the HWP is ultimately installed in the rotor. The motor presented here has a 100 mm diameter rotor aperture. However, the design can be scaled up to rotor aperture diameters of approximately 500 mm. Our motor system is composed of four primary subsystems: (i) the rotor assembly, which includes the NdFeB ring magnet, (ii) the stator assembly, which includes the YBCO disks, (iii) an incremental encoder, and (iv) the drive electronics. While the YBCO is cooling through its superconducting transition, the rotor is held above the stator by a novel hold and release mechanism (HRM). The encoder subsystem consists of a custom-built encoder disk read out by two fiber optic readout sensors. For the demonstration described in this paper, we ran the motor at 50 K and tested rotation frequencies up to approximately 10 Hz. The feedback system was able to stabilize the the rotation speed to approximately 0.4%, and the measured rotor orientation angle uncertainty is less than 0.15 deg. Lower temperature operation will require additional development activities, which we will discuss.",1706.05963v3 2020-07-16,The heavy-elements heritage of the falling sky,"Recent dynamical analysis based on Gaia data have revealed major accretion events in Milky Way's history. Nevertheless, our understanding of the primordial Galaxy is hindered because the bona fide identification of the most metal-poor and correspondently oldest accreted stars remains challenging. Contrary to alpha-elements, neutron-capture elements present unexplained large abundance spreads for low metallicity stars, that could result from a mixture of formation sites. We have analysed the abundances of yttrium, europium, magnesium and iron in Milky Way satellite galaxies, field halo stars and globular clusters. The chemical information has been complemented with orbital parameters based on Gaia data. In particular, the orbit's average inclination has been considered. The [Y/Eu] abundance behaviour with respect to the [Mg/Fe] turnovers for satellite galaxies of different masses reveals that higher luminosity systems, for which the [Mg/Fe] abundance declines at higher metallicities, present enhanced [Y/Eu] abundances, particularly in the [Fe/H] regime between -2.25 and -1.25 dex. In addition, the analysis has uncovered a chemo-dynamical correlation for both globular clusters and field stars of the Galactic halo, accounting for about half of the [Y/Eu] abundance spread. [Y/Eu] under-abundances typical of protracted chemical evolutions, are preferentially observed in polar-like orbits, pointing to a possible anisotropy in the accretion processes. Our results strongly suggest that the observed [Y/Eu] abundance spread in the Milky Way halo could result from a mixture of systems with different masses. They also highlight that both nature and nurture are relevant to the Milky Way formation, since its primordial epochs, opening new pathways for chemical diagnostics of our Galaxy building up.",2007.08313v1 2024-01-16,Formation of yttrium oxalate phase filled by carbon clusters on the surface of yttrium oxide films,"In the current paper, we report the results of surface modification of cubic Y2O3 films employing carbon-ion implantation. The characterization results demonstrate the formation of a stable yttrium oxalate-based structure with cavities filled with carbon clusters. Theoretical simulations demonstrate that the incorporation of eighteen-atom carbon clusters into the cavities of Y2(C2O4)3 does not lead to valuable changes in the crystal structure of yttrium oxalate. X-ray diffraction and optical measurements demonstrate that the subsurface bulk area of cubic yttrium oxide remains unperturbed. The oxalate ""skin"" thickness with embedded carbon clusters is estimated to be approximately 10 nm. The prospective employing the method to manage optical properties and increase the biocompatibility of yttria and lanthanide oxides are discussed.",2401.08459v1 2017-08-25,Role of dimensional crossover on spin-orbit torque efficiency in magnetic insulator thin films,"Magnetic insulators (MIs) attract tremendous interest for spintronic applications due to low Gilbert damping and absence of Ohmic loss. Magnetic order of MIs can be manipulated and even switched by spin-orbit torques (SOTs) generated through spin Hall effect and Rashba-Edelstein effect in heavy metal/MI bilayers. SOTs on MIs are more intriguing than magnetic metals since SOTs cannot be transferred to MIs through direct injection of electron spins. Understanding of SOTs on MIs remains elusive, especially how SOTs scale with the film thickness. Here, we observe the critical role of dimensionality on the SOT efficiency by systematically studying the MI layer thickness dependent SOT efficiency in tungsten/thulium iron garnet (W/TmIG) bilayers. We first show that the TmIG thin film evolves from two-dimensional to three-dimensional magnetic phase transitions as the thickness increases, due to the suppression of long-wavelength thermal fluctuation. Then, we report the significant enhancement of the measured SOT efficiency as the thickness increases. We attribute this effect to the increase of the magnetic moment density in concert with the suppression of thermal fluctuations. At last, we demonstrate the current-induced SOT switching in the W/TmIG bilayers with a TmIG thickness up to 15 nm. The switching current density is comparable with those of heavy metal/ferromagnetic metal cases. Our findings shed light on the understanding of SOTs in MIs, which is important for the future development of ultrathin MI-based low-power spintronics.",1708.07584v2 2020-08-21,Experimental determination of ferric iron partitioning between pyroxene and melt at 100KPa,"Pyroxene is the principal host of Fe$^{3+}$ in basalt source regions, hosting 79 and 81% of the Fe$^{3+}$ in spinel and garnet lherzolite, respectively, with opx and cpx hosting 48% and 31%, respectively, of the total Fe$^{3+}$ in spinel peridotite. To better understand partitioning of Fe$^{3+}$ between pyroxene and melt we conducted experiments at 100 KPa with f$_{O2}$ controlled by CO-CO$_2$ gas mixes between $\Delta$QFM -1.19 to +2.06 in a system containing andesitic melt saturated with opx or cpx only. To produce large (100-150 $\mu$m), homogeneous pyroxenes, we employed a dynamic cooling technique with a 5-10$\deg$C/h cooling rate, and initial and final dwell temperatures 5-10$\deg$C and 20-30$^\circ$C super and sub-liquidus, respectively. Resulting pyroxene crystals have absolute variation in Al$_2$O$_3$ and TiO$_2$ <0.05 wt.% and <0.02 wt.%, respectively. Fe$^{3+}$/Fe$^T$ in pyroxenes and quenched glass were measured by XANES. We used a newly developed XANES calibration for cpx and opx by only selecting spectra with X-ray vibrating on the optic axial plane at $50 \pm 5^\circ$ to the crystallographic c axis. Values of DFe$^{3+}$ cpx/melt increase from 0.03 to 0.53 as fO2 increases from $\Delta$QFM -0.44 to 2.06, while DFe$^{3+}$ opx/melt remains unchanged at 0.26 between $\Delta$QFM -1.19 to +1.37. In comparison to natural peridotitic pyroxenes, Fe$^{3+}$/FeT in pyroxenes crystallized in this study are lower at similar f$_{O2}$, presumably owing to lower Al$^{3+}$ contents. This study shows that the existing thermodynamic models implemented in pMELTS and Perple_X over-predict the stability of Fe$^{3+}$ in pyroxenes, causing an anomalous reduced character to spinel peridotites at calculated conditions of MORB genesis.",2008.09296v1 2022-07-28,Low-temperature nanoscale heat transport in a gadolinium iron garnet heterostructure probed by ultrafast x-ray diffraction,"Time-resolved x-ray diffraction has been used to measure the low-temperature thermal transport properties of a Pt/Gd3Fe5O12//Gd3Ga5O12 metal/oxide heterostructure relevant to applications in spin caloritronics. A pulsed femtosecond optical signal produces a rapid temperature rise in the Pt layer, followed by heat transport into the Gd3Fe5O12 (GdIG) thin film and the Gd3Ga5O12 (GGG) substrate. The time dependence of x-ray diffraction from the GdIG layer was tracked using an accelerator-based femtosecond x-ray source. The ultrafast diffraction measurements probed the intensity of the GdIG (1 -1 2) x-ray reflection in a grazing-incidence x-ray diffraction geometry. The comparison of the variation of the diffracted x-ray intensity with a model including heat transport and the temperature dependence of the GdIG lattice parameter allows the thermal conductance of the Pt/GdIG and GdIG//GGG interfaces to be determined. Complementary synchrotron x-ray diffraction studies of the low-temperature thermal expansion properties of the GdIG layer provide a precise calibration of the temperature dependence of the GdIG lattice parameter. The interfacial thermal conductance of the Pt/GdIG and GdIG//GGG interfaces determined from the time-resolved diffraction study is of the same order of magnitude as previous reports for metal/oxide and epitaxial dielectric interfaces. The thermal parameters of the Pt/GdIG//GGG heterostructure will aid in the design and implementation of thermal transport devices and nanostructures.",2207.14409v1 2023-08-14,Temperature Evolution of Magnon Propagation Length in Tm$_3$Fe$_5$O$_{12}$ Thin Films: Roles of Magnetic Anisotropy and Gilbert Damping,"The magnon propagation length ($\langle\xi\rangle$) of a ferro/ferrimagnet (FM) is one of the key factors that controls the generation and propagation of thermally-driven spin current in FM/heavy metal (HM) bilayer based spincaloritronic devices. Theory predicts that for the FM layer, $\langle\xi\rangle$ is inversely proportional to the Gilbert damping ($\alpha$) and the square root of the effective magnetic anisotropy constant ($K_{\rm eff}$). However, direct experimental evidence of this relationship is lacking. To experimentally confirm this prediction, we employ a combination of longitudinal spin Seebeck effect (LSSE), transverse susceptibility, and ferromagnetic resonance experiments to investigate the temperature evolution of $\langle\xi\rangle$ and establish its correlation with the effective magnetic anisotropy field, $H_K^{\rm eff}$ ($\propto K_{\rm eff}$) and $\alpha$ in Tm$_3$Fe$_5$O$_{12}$ (TmIG)/Pt bilayers. We observe concurrent drops in the LSSE voltage and $\langle\xi\rangle$ below 200$^\circ$K in TmIG/Pt bilayers regardless of TmIG film thickness and substrate choice and attribute it to the noticeable increases in $H_K^{\rm eff}$ and $\alpha$ that occur within the same temperature range. From the TmIG thickness dependence of the LSSE voltage, we determined the temperature dependence of $\langle\xi\rangle$ and highlighted its correlation with the temperature-dependent $H_K^{\rm eff}$ and $\alpha$ in TmIG/Pt bilayers, which will be beneficial for the development of rare-earth iron garnet-based efficient spincaloritronic nanodevices.",2308.07236v3 2017-09-20,Static Magnetization Properties Of AL800 Garnet Material,"A second harmonic tunable RF cavity is being developed for the Fermilab Booster. This device, which promises reduction of the particle beam loss at the injection, transition, and extraction stages, employs perpendicularly biased garnet material for frequency tuning. The required range of the tuning is significantly wider than in previously built and tested tunable RF devices. As a result, the magnetic field in the garnet comes fairly close to the gyromagnetic resonance line at the lower end of the frequency range. The chosen design concept of a tuner for the cavity cannot ensure uniform magnetic field in the garnet material; thus, it is important to know the static magnetic properties of the material to avoid significant increase in the local RF loss power density. This report summarizes studies performed at Fermilab to understand variations in the magnetic properties of the AL800 garnet material used to build the tuner of the cavity.",1709.07050v1 2018-01-07,Aluminum and Gallium Distribution in the Lu3(Al5-xGax)O12:Ce Multicomponent Garnet Scintillators Investigated by the Solid-State NMR and DFT calculations,"Distribution of aluminum and gallium atoms over the tetrahedral and octahedral sites in the garnet structure was studied in the mixed Lu3Al5-xGaxO12 crystals using the 27Al and 71Ga MAS NMR together with the single crystal 71Ga NMR. The experimental study was accompanied by theoretical calculations based on the density functional theory in order to predict the tendency in substitutions of Al by Ga in the mixed garnets. Both experimental and theoretic results show a non-uniform distribution of Al and Ga over the tetrahedral and octahedral sites in the garnet structure, with strong preferences for Ga, having larger ionic radius than Al, to occupy the tetrahedral site with smaller volume in the garnet structure. The quadrupole coupling constants and chemical shift parameters for Al and Ga nuclei have been determined for all the studied compounds as well as electric field gradients at Al and Ga nuclei were calculated in the framework of the density functional theory.",1801.02223v1 2006-07-23,Prediction of Superconductivity at ~ 30 K in Compressed Body-Centered Cubic Yttrium,"Using ab initio methods, we have studied the electron-phonon interaction in compressed, body-centered cubic (bcc) yttrium, which is predicted to be stable at 280 GPa [Melsen et al, Phys. Rev. B 48, 15574 (1993)]. We find that compressed, bcc yttrium has a large electron-phonon coupling with lambda=1.8, leading to a superconducting transition temperature T_c ~ 30 K or above. Our results indicate that the large electron-phonon coupling is due to the lattice hardening.",0607588v2 2018-12-16,Yttrium-substituted Mg-Zn ferrites: correlation of physical properties with Yttrium content,"Yttrium (Y) substituted Mg Zn ferrites with the compositions of Mg0.5Zn0.5YxFe2 xO4 have been synthesized by conventional standard ceramic technique. The effect of Y3+ substitution on the structural, electrical, dielectric and magnetic properties of Mg Zn ferrites has been studied.",1812.06370v2 2015-06-23,Atomic-scale investigation of creep behavior in nanocrystalline Mg and Mg-Y alloys,"Magnesium (Mg) and its alloys offer great potential for reducing vehicular mass and energy consumption due to their inherently low densities. Historically, widespread applicability has been limited by low strength properties compared to other structural Al-, Ti- and Fe-based alloys. However, recent studies have demonstrated high-specific-strength in a number of nanocrystalline Mg-alloys. Even so, applications of these alloys would be restricted to low-temperature automotive components due to microstructural instability under high temperature creep loading. Hence, this work aims to gain a better understanding of creep and associated deformation behavior of columnar nanocrystalline Mg and Mg-yttrium (Y) (up to 3at.%Y(10wt.%Y)) with a grain size of 5 nm and 10 nm. Using molecular dynamics (MD) simulations, nanocrystalline magnesium with and without local concentrations of yttrium is subjected to constant-stress loading ranging from 0 to 500 MPa at different initial temperatures ranging from 473 to 723 K. In pure Mg, the analyses of the diffusion coefficient and energy barrier reveal that at lower temperatures (i.e., T < ~423K) the contribution of grain boundary diffusion to the overall creep deformation is stronger that the contribution of lattice diffusion. However, at higher temperatures (T > ~423K) lattice diffusion dominates the overall creep behavior. Interestingly, for the first time, we have shown that the(101-1),(101-2),(101-3) and (101-6) boundary sliding energy is reduced with the addition of yttrium. This softening effect in the presence of yttrium suggests that the experimentally observed high temperature beneficial effects of yttrium addition is likely to be attributed to some combination of other reported creep strengthening mechanisms or phenomena such as formation of stable yttrium oxides at grain boundaries or increased forest dislocation-based hardening.",1506.07149v1 2011-02-11,"Discovery of Yttrium, Zirconium, Niobium, Technetium, and Ruthenium Isotopes","Currently, thirty-four yttrium, thirty-five zirconium, thirty-four niobium, thirty-five technetium, and thirty-eight ruthenium isotopes have been observed and the discovery of these isotopes is discussed here. For each isotope a brief synopsis of the first refereed publication, including the production and identification method, is presented.",1102.2381v1 2002-02-17,Faraday rotation and sensitivity of (100) bismuth-substituted ferrite garnet films,"We have investigated the Faraday rotation of in-plane magnetized bismuth - substituted ferrite garnet films grown by liquid phase epitaxy on (100) oriented gadolinium gallium garnet substrates. The Faraday spectra were measured for photon energies between 1.7 - 2.6 eV. To interprete the spectra, we use a model based on two electric dipole transitions, one tetrahedral and one octahedral. Furthermore, the Faraday rotation sensitivity was measured at 2.3 eV, and found to be in good agreement with the theoretical predicitions. In particular, we find that the sensitivity increases linearly with the bismuth content and nonlinearly with the gallium content.",0202281v1 2008-01-22,On the Crystallization of Terbium Aluminium Garnet,"Attempts to grow terbium aluminium garnet (Tb3Al5O12, TAG) by the Czochralski method lead to crystals of millimeter scale. Larger crystals could not be obtained. DTA measurements within the binary system showed that TAG melts incongruently at 1840 deg. C. The perovskite (TbAlO3, TAP) with a congruent melting point of 1930 deg. C is the most stable phase in this system. The region for primary crystallization of TAP covers the chemical composition of TAG and suppresses the primary crystallization of the terbium aluminium garnet.",0801.3317v1 2018-06-21,"Magnetic Properties of Lithium-Containing Rare Earth Garnets Li3RE3Te2O12 (RE = Y, Pr, Nd, Sm-Lu)","The synthesis, structural description, temperature dependent magnetic susceptibilities and field dependent magnetizations of a series of rare earth garnets of the form Li3RE3Te2O12 (RE = Y, La, Pr, Nd, Sm-Lu) are reported. The structure of Li3Dy3Te2O12 is refined from powder X-ray diffraction data. The field dependent magnetizations saturate for some of the members by 9 Tesla at 2 K. Of particular interest for further study in this family is the behavior of the Pr, Tb, Dy and Yb garnets.",1806.08399v1 2023-10-02,Stuffed Rare Earth Garnets,"We report the synthesis and magnetic characterization of stuffed rare earth gallium garnets, RE3+xGa5-xO12 (RE=Lu, Yb, Er, Dy, Gd), for x up to 0.5. The excess rare earth ions partly fill the octahedral sites normally fully occupied by Ga3+, forming disordered pairs of corner-shared face-sharing magnetic tetrahedra. The Curie-Weiss constants and observed effective moments per rare earth are smaller than are seen for the unstuffed gallium garnets. No significant change in the field-dependent magnetization is observed but missing entropy is seen when integrating the low-temperature heat capacity to 0.5 K.",2310.01606v1 2017-07-21,"Sensitivity of magnetic properties to chemical pressure in lanthanide garnets $Ln_3A_2X_3\text{O}_{12}$, $Ln$ = Gd, Tb, Dy, Ho, $A$ = Ga, Sc, In, Te, $X$ = Ga, Al, Li","A systematic study of the structural and magnetic properties of three-dimensionally frustrated lanthanide garnets $Ln_3A_2X_3\text{O}_{12}$, $Ln$ = Gd, Tb, Dy, Ho, $A$ = Ga, Sc, In, Te, $X$ = Ga, Al, Li is presented. Garnets with $Ln$ = Gd show magnetic behaviour consistent with isotropic Gd$^{3+}$ spins; no magnetic ordering is observed for T $\geq$ 0.4 K. Magnetic ordering features are seen for garnets with $Ln$ = Tb, Dy, Ho in the temperature range 0.4 < T < 2.5 K, however the nature of the magnetic ordering varies for the different $Ln$ as well as for different combinations of $A$ and $X$. The changes in magnetic behaviour can be explained by tuning of the magnetic interactions and changes in the single-ion anisotropy. The change in magnetic entropy is evaluated from isothermal magnetisation measurements to characterise the magnetocaloric effect in these materials. Among the Gd garnets, the maximum change in magnetic entropy per mole (15.45 J K$^{-1}$ mol$_{\text{Gd}}^{-1}$) is observed for Gd$_3$Sc$_2$Ga$_3$O$_{12}$ at 2 K, in a field of 9 T. The performance of Dy$_3$Ga$_5$O$_{12}$ as a magnetocaloric material surpasses the other garnets with $Ln$ = Tb, Dy, Ho.",1707.06730v1 2019-02-18,Ionic conductivity enhacements and low temperature synthesis of Li7La3Zr2O12 garnets by Bi aliovalent substitutions,"We report on a novel approach to synthesize cubic-phase fast ionic conducting garnet-type solid state electrolytes based on Bi doped Li7La3Zr2O12 (LLZO). Bi aliovalent substitution into LLZO utilizing the Pechini processing method is successfully employed to synthesize Li7-xLa3Zr2-xBixO12 compounds. Ionic conductivities up to 2.0 x 10-4 S/cm are achieved in structures not fully densified. Cubic phase Li6La3ZrBiO12 powders are generated in the temperature range from 650 {\deg}C to 900 {\deg}C in air. In contrast, in the absence of Bi and under identical synthesis conditions, the cubic garnet phase of Li7La3Zr2O12 is not formed below 700 {\deg}C while a transformation to the tetragonal phase is observed at 900 {\deg}C for the un-doped compound. The critical role of Bi in lowering the formation temperature of the garnet cubic phase and the improvements in ionic conductivity is investigated in this work through microstructural studies and AC impedance measurements. We ascribe the effect of Bi doping in achieving these remarkable improvements to significant enhancements at lower temperatures in the kinetics of the solid-state reaction resulting in explosive grain growth and densification of the garnet. Moreover, XAS is utilized to identify the specific atomic site where Bi is incorporated in the LLZO garnet crystalline structure.",1902.06831v1 2021-12-21,Garnet pyroxenites explain high electrical conductivity in the East African deep lithosphere,"A large contrast in electrical conductivity has been observed within the lithospheric mantle between the Tanzanian craton and the Mozambique belt at depths > 70 km. Such contrasts are typically attributed to changes in volatiles and/or melt content, with changes in mineralogy deemed insufficient to impact conductivity. To test this assumption, electrical conductivity measurements were conducted at pressure-temperature conditions relevant to the Tanzanian lithosphere (1.5 and 3 GPa; from 400 to > 1500{\deg}C) on xenoliths from Engorora, Northern Tanzania. I observe that, once garnet becomes stable in fertile mantle rocks (> 60 km, 1.7 GPa), it nucleates at grain boundaries and forms the backbone of a conductive network. At 3 GPa, the presence of garnet-rich networks increases conductivity by a factor of 100 regardless of temperature. Numerical models demonstrate that low (< 10^{-2} Sm^{-1}) and high (> 10^{-1} Sm^{-1}) conductivities in the Tanzanian lithospheric mantle are best explained by low and high degrees of garnet connectivity, respectively. Such high electrical conductivities in cratonic roots can be explained by the presence of connected garnet clusters, suggesting mantle refertilization. I suggest that the garnet network represents the result of plume triggered metasomatism due to plume impingement, and may represent an unstable structure that will eventually lead to loss of cratonic lithosphere.",2112.11559v1 2022-01-30,GARNET: Reduced-Rank Topology Learning for Robust and Scalable Graph Neural Networks,"Graph neural networks (GNNs) have been increasingly deployed in various applications that involve learning on non-Euclidean data. However, recent studies show that GNNs are vulnerable to graph adversarial attacks. Although there are several defense methods to improve GNN robustness by eliminating adversarial components, they may also impair the underlying clean graph structure that contributes to GNN training. In addition, few of those defense models can scale to large graphs due to their high computational complexity and memory usage. In this paper, we propose GARNET, a scalable spectral method to boost the adversarial robustness of GNN models. GARNET first leverages weighted spectral embedding to construct a base graph, which is not only resistant to adversarial attacks but also contains critical (clean) graph structure for GNN training. Next, GARNET further refines the base graph by pruning additional uncritical edges based on probabilistic graphical model. GARNET has been evaluated on various datasets, including a large graph with millions of nodes. Our extensive experiment results show that GARNET achieves adversarial accuracy improvement and runtime speedup over state-of-the-art GNN (defense) models by up to 13.27% and 14.7x, respectively.",2201.12741v6 1998-09-02,Nonlocal electrical conductivity coefficient sigma sub-k,"A nonlocal functional is used to calculate superconducting properties of barium yttrium copper oxide.",9809047v1 2007-03-22,First Principles Study on the Formation of Yttrium Nitride in Cubic and Hexagonal Phases,"We have studied the formation of yttrium nitride in which the Y-atoms were arranged in two common close-packed stacking: The AB-stacking (hcp-symmetry) is the ground state of metallic yttrium; while the ABC-stacking (fcc-symmetry) is the ground state of yttrium nitride. Given the different symmetries between YN and Y, there must be a phase transition (hcp->fcc) as N is incorporated in the Y-lattice. By means of first principles calculations we have made a systematical investigation where N was gradually incorporated in octahedral interstices in AB and ABC stacking of Y. We report the heat of formation, bulk modulus, lattice parameter and electronic structure of the resultant nitrides. We found that both metal arrangements are physically achievable. Furthermore, for low nitrogen incorporation the two phases may coexist. However for high nitrogen concentration the cubic phases are favored by a 30 kJ mol-1 margin. These results are important since fcc-YN is semiconducting and could be utilized as active layer in electronic devices.",0703568v2 2007-09-26,Off-line studies of the laser ionization of yttrium at the IGISOL facility,"A laser ion source is under development at the IGISOL facility, Jyvaskyla, in order to address deficiencies in the ion guide technique. The key elements of interest are those of a refractory nature, whose isotopes and isomers are widely studied using both laser spectroscopic and high precision mass measurement techniques. Yttrium has been the first element of choice for the new laser ion source. In this work we present a new coupled dye-Ti:Sapphire laser scheme and give a detailed discussion of the results obtained from laser ionization of yttrium atoms produced in an ion guide via joule heating of a filament. The importance of not only gas purity, but indeed the baseline vacuum pressure in the environment outside the ion guide is discussed in light of the fast gas phase chemistry seen in the yttrium system. A single laser shot model is introduced and is compared to the experimental data in order to extract the level of impurities within the gas cell.",0709.4129v1 2020-07-08,Experimental evidence for orthorhombic Fddd crystal structure in elemental yttrium above 100 GPa,"We present electrical resistance measurements of elemental yttrium on bulk and film samples, and both exhibit superconductivity at very high pressures. We show that the pressure dependence of the superconducting transition temperature above 100 GPa is in good agreement with the predicted Fddd phase by Chen et al. [Phys. Rev. lett. 109, 157004 (2012)]. This result together with a new Rietveld refinement made on X-ray data at 123 GPa from Samudrala et al. [J. Phys. Condens. Matter 24, 362201 (2012)] offer strong evidence that the atomic structure of yttrium above 100 GPa is orthorhombic Fddd. Furthermore, our process of evaporating yttrium film directly on a diamond anvil is expected to be a valuable asset for future synthesis of new superhydride superconductors.",2007.03969v2 2022-08-10,Synthesis and Superconductivity in Yttrium-Cerium Hydrides at Moderate Pressures,"Inspired by the high critical temperature in yttrium superhydride and the low stabilized pressure in superconducting cerium superhydride, we carry out four independent runs to synthesize yttrium-cerium alloy hydrides. The phases examined by the Raman scattering and x-ray diffraction measurements. The superconductivity is detected with the zero-resistance state at the critical temperature in the range of 97-140 K at pressures ranging from 114 GPa to 120$\pm$4 GPa. The maximum critical temperature of the synthesized hydrides is larger than those reported for cerium hydrides, while the corresponding stabilized pressure is much lower than those for superconducting yttrium hydrides. The structural analysis and theoretical calculations suggest that the phase of Y$_{0.5}$Ce$_{0.5}$H$_9$ has the space group $P6_3/mmc$ with the calculated critical temperature of 119 K, in fair agreement with the experiments. These results indicate that alloying superhydrides indeed can maintain relatively high critical temperature at modest pressures accessible by many laboratories.",2208.05191v1 2023-05-11,Reactive pulsed direct current magnetron sputtering deposition of semiconducting yttrium oxide thin film in ultralow oxygen atmosphere: A spectroscopic and structural investigation of growth dynamics,"An experimental investigation was conducted to explore spectroscopic and structural characterization of semiconducting yttrium oxide thin film deposited at 623 K (+/- 5K) utilizing reactive pulsed direct current magnetron sputtering. Based on the results obtained from both x-ray diffraction and transmission electron microscope measurements, yttrium monoxide is very likely formed in the transition region between {\beta}-Y2O3 and {\alpha}-Y2O3, and accompanied by the crystalline Y2O3. Resulting from either the low energy separation between 4d and 5s orbitals and/or different spin states of the corresponding orbitals' sublevels, the stability of monoxide is most presumably self-limited by the size of the crystal in thermodynamic terms. This behavior develops a distortion in the structure of the crystal compared to the metal oxide cubic structure and it also effectuates the arrangement in nanocrystalline/amorphous phase. In addition to this, spectroscopic ellipsometry denotes that the semiconducting yttrium oxide has the dominant, mostly amorphous, formation character over crystalline Y2O3. Our purpose, by means of the current findings, is to advance the understanding of formation kinetics/conditions of yttrium with an unusual valency (2+).",2305.06757v1 2020-01-15,Terahertz response of gadolinium gallium garnet (GGG) and gadolinium scandium gallium garnet (SGGG),"We report the magneto-optical response of Gadolinium Gallium Garnet (GGG) and Gadolinium Scandium Gallium Garnet (SGGG) at frequencies ranging from $300 \, \mathrm{GHz}$ to $1 \, \mathrm{THz}$, and determine the material response tensor. Within this frequency window, the materials exhibit nondispersive and low-loss optical responses. At low temperatures, significant THz Faraday rotations are found in the (S)GGG samples. Such strong gyroelectric response is likely associated with the high-spin paramagnetic state of the Gd$^{3+}$ ions. A model of the material response tensor is determined, together with the Verdet and magneto-optic constants.",2001.05085v1 2021-09-16,GarNet: A Continuous Robot Vision Approach for Predicting Shapes and Visually Perceived Weights of Garments,"We present a Garment Similarity Network (GarNet) that learns geometric and physical similarities between known garments by continuously observing a garment while a robot picks it up from a table. The aim is to capture and encode geometric and physical characteristics of a garment into a manifold where a decision can be carried out, such as predicting the garment's shape class and its visually perceived weight. Our approach features an early stop strategy, which means that GarNet does not need to observe a garment being picked up from a crumpled to a hanging state to make a prediction. In our experiments, we find that GarNet achieves prediction accuracies of 92% for shape classification and 95.5% for predicting weights and advances state-of-art approaches by 21% for shape classification.",2109.07831v3 2023-06-20,Erbium-excess gallium garnets,"A series of garnets of formula Er3+xGa5-xO12 is described, for which we report the crystal structures for both polycrystalline and single-crystal samples. The x limit in the garnet phase is between 0.5 and 0.6 under our conditions, with the Er fully occupying the normal garnet site plus half-occupying the octahedral site at x = 0.5 in place of the Ga normally present. Long-range antiferromagnetic order with spin ice-like frustration is suggested by the transition temperature (TN=0.8K) being much lower than the Curie-Weiss theta. The magnetic ordering temperature does not depend on the Er excess, but there is increasing residual entropy as the Er excess is increased, highlighting the potential for unusual magnetic behavior in this system.",2306.11854v1 2009-01-05,"Crystal structure of synthetic Mg3Cr2Si3O12, the high-pressure Cr end-member of the knorringite-pyrope garnet series","Knorringite, the Cr-end-member of the pyrope garnet series (Nixon et al. 1968), often occur in high proportions in kimberlite garnets and is thus used for tracing high-pressure deep-earth conditions favorable to the formation of diamonds, in which knorringite-rich garnet can occur as inclusions. However, although the synthesis of knorringite is reported in the literature (Ringwood 1977; Irifune et al. 1982; Taran et al. 2004), the structure of the pure end-member has not been yet determined from experimental data. In this study, the crystal structure of knorringite, Mg3Cr2(SiO4)3, has been refined from high resolution synchrotron X-ray powder diffraction data recorded under ambient conditions on a polycrystalline sample synthesized at 12 GPa in a multi-anvil apparatus. The structure is cubic, space group Ia-3d, a = 11.5935(1), V = 1558.27(4) {\AA}3, dcalc = 3.97 g.cm-3. The Cr-O distance of 1.957(2) {\AA} is consistent with EXAFS results on the same sample. This short distance indicates a substantial compression of the CrO6 octahedron, compared to ambient pressure Cr3+-minerals such as uvarovite ( = 1.99 {\AA}, Andrut and Wildner 2002). Our experimental results thus confirm early empirical predictions based on series of high-pressure Cr-garnet end-members (Fursenko 1981), showing that the values of the Cr-O distance and the Cr-O-Si angle decrease with the augmentation of pressure and with the diminution of the size of the divalent cation.",0901.0476v1 2021-07-26,"The Gaia-ESO Survey: A new approach to chemically characterising young open clusters II. Abundances of the neutron-capture elements Cu, Sr, Y, Zr, Ba, La, and Ce","Young open clusters (t<200 Myr) have been observed to exhibit several peculiarities in their chemical compositions, from a slightly sub-solar iron content, super-solar abundances of some atomic species (e.g. ionised chromium), and atypical enhancements of [Ba/Fe], with values up to +0.7 dex. Regarding the behaviour of the other $s$-process elements like yttrium, zirconium, lanthanum, and cerium, there is general disagreement in the literature. In this work we expand upon our previous analysis of a sample of five young open clusters (IC2391, IC2602, IC4665, NGC2516, and NGC2547) and one star-forming region (NGC2264), with the aim of determining abundances of different neutron-capture elements, mainly CuI, SrI, SrII, YII, ZrII, BaII, LaII, and CeII. We analysed high-resolution, high signal-to-noise spectra of 23 solar-type stars observed within the \textit{Gaia}-ESO survey. We find that our clusters have solar [Cu/Fe] within the uncertainties, while we confirm the super-solar [Ba/Fe] values (from +0.22 to +0.64 dex). Our analysis also points to mildly enhanced [Y/Fe] values (from 0 and +0.3 dex). For the other $s$-process elements we find that [X/Fe] ratios are solar at all ages. It is not possible to reconcile the anomalous behaviour of Ba and Y at young ages with standard stellar yields and Galactic chemical evolution model predictions. Thus, we explore different possible scenarios related to the behaviour of spectral lines, from the sensitivity to the presence of magnetic fields to the first ionisation potential effect. We also investigate the possibility that they may arise from alterations of the structure of the stellar photosphere due to higher levels of activity in such young stars. We are still unable to explain these enhancements, but we suggest that other elements (i.e. La) might be more reliable tracer of the $s$-process at young ages and encourage further observations.",2107.12381v1 2019-06-20,Chemical Compositions of Field and Globular Cluster RR~Lyrae Stars: II. omega Centauri,"We present a detailed spectroscopic analysis of RR Lyrae (RRL) variables in the globular cluster NGC 5139 (omega Cen). We collected optical (4580-5330 A), high resolution (R = 34,000), high signal-to-noise ratio (200) spectra for 113 RRLs with the multi-fiber spectrograph M2FS at the Magellan/Clay Telescope at Las Campanas Observatory. We also analysed high resolution (R = 26,000) spectra for 122 RRLs collected with FLAMES/GIRAFFE at the VLT, available in the ESO archive. The current sample doubles the literature abundances of cluster and field RRLs in the Milky Way based on high resolution spectra. Equivalent width measurements were used to estimate atmospheric parameters, iron, and abundance ratios for alpha (Mg, Ca, Ti), iron peak (Sc, Cr, Ni, Zn), and s-process (Y) elements. We confirm that omega Cen is a complex cluster, characterised by a large spread in the iron content: -2.58 < [Fe/H] < -0.85. We estimated the average cluster abundance as [Fe/H] = -1.80 +- 0.03, with sigma = 0.33 dex. Our findings also suggest that two different RRL populations coexist in the cluster. The former is more metal-poor ([Fe/H] < -1.5), with almost solar abundance of Y. The latter is less numerous, more metal-rich, and yttrium enhanced ([Y/Fe] > 0.4). This peculiar bimodal enrichment only shows up in the s-process element, and it is not observed among lighter elements, whose [X/Fe] ratios are typical for Galactic globular clusters.",1906.08550v1 2024-01-13,Iron role paradox in nerve degeneration and regeneration,"Iron accumulates in the neural tissue during peripheral nerve degeneration. Some studies have already been suggested that iron facilitates Wallerian degeneration (WD) events such as Schwann cell de-differentiation. On the other hand, intracellular iron levels remain elevated during nerve regeneration and gradually decrease. Iron enhances Schwann cell differentiation and axonal outgrowth. Therefore, there seems to be a paradox in the role of iron during nerve degeneration and regeneration. We explain this contradiction by suggesting that the increase in intracellular iron concentration during peripheral nerve degeneration is likely to prepare neural cells for the initiation of regeneration. Changes in iron levels are the result of changes in the expression of iron homeostasis proteins. In this review, we will first discuss the changes in the iron/iron homeostasis protein levels during peripheral nerve degeneration and regeneration and then explain how iron is related to nerve regeneration. This data may help better understand the mechanisms of peripheral nerve repair and find a solution to prevent or slow the progression of peripheral neuropathies.",2401.07016v1 2011-11-04,Exchange-correlation effects in the monoclinic to tetragonal phase stabilization of Yttrium-doped ZrO2: a first-principles approach,"We describe, within an ab-initio approach, the stabilization of the tetragonal phase vs. the monoclinic one in Yttrium-doped Zirconia. The process is believed to be influenced from different mechanisms. Indeed we show that there is a delicate balance between the change in electrostatic and kinetic energy and exchange-correlation effects. In the tetragonal phase the perturbation induced by doping is better screened at the price of sacrificing correlation energy. Our work opens the opportunity to use the same approach to predict the tetragonal phase stabilization of materials like Zirconia or Hafnia, with different and less characterized dopants.",1111.1147v2 2014-01-29,Thermodynamic properties of yttrium cuprate,"The standard formation enthalpy and enthalpy from binary oxide of yttrium cuprate have been determined by solution calorimetry combining the solution enthalpies of Y2Cu2O5 and Y2O3 + 2CuO mixture in 6 M HCl at 323.15 K and literature data. The heat capacity of Y2Cu2O5 has been measured by adiabatic calorimetry from 8 up to 303 K. Smoothed values of heat capacities, entropies and enthalpies were calculated on the basis of experimental data. The thermodynamic functions (heat capacity, entropy and enthalpy) at 298.15 K have been calculated. On the basis of obtained data it has been obtained that above-mentioned complex oxide is thermodynamically unstable with respect to their decomposition into binary oxides at room temperatures.",1401.7422v1 2015-12-23,Coupling of erbium dopants to yttrium orthosilicate photonic crystal cavities for on-chip optical quantum memories,"Erbium dopants in crystals exhibit highly coherent optical transitions well suited for solid-state optical quantum memories operating in the telecom band. Here we demonstrate coupling of erbium dopant ions in yttrium orthosilicate to a photonic crystal cavity fabricated directly in the host crystal using focused ion beam milling. The coupling leads to reduction of the photoluminescence lifetime and enhancement of the optical depth in microns-long devices, which will enable on-chip quantum memories.",1512.07389v1 2006-09-26,Genetic Regulation of Fluxes: Iron Homeostasis of Escherichia coli,"Iron is an essential trace-element for most organisms. However, because high concentration of free intracellular iron is cytotoxic, cells have developed complex regulatory networks that keep free intracellular iron concentration at optimal range, allowing the incorporation of the metal into iron-using enzymes and minimizing damage to the cell. We built a mathematical model of the network that controls iron uptake and usage in the bacterium Escherichia coli to explore the dynamics of iron flow. We simulate the effect of sudden decrease or increase in the extracellular iron level on intracellular iron distribution. Based on the results of simulations we discuss the possible roles of the small RNA RyhB and the Fe-S cluster assembly systems in the optimal redistribution of iron flows. We suggest that Fe-S cluster assembly is crucial to prevent the accumulation of toxic levels of free intracellular iron when the environment suddenly becomes iron rich.",0609042v1 2020-12-25,Superconductivity to 262 kelvin via catalyzed hydrogenation of yttrium at high pressures,"Room temperature superconductivity has been achieved under high pressure in an organically derived carbonaceous sulfur hydride with a critical superconducting transition temperature (Tc) of 288 kelvin. This development is part of a new class of dense, hydrogen rich materials with remarkably high critical temperatures. Metal superhydrides are a subclass of these materials that provide a different and potentially more promising route to very high Tc superconductivity. The most promising binary metal superhydrides contain alkaline or rare earth elements, and recent experimental observations of LaH10 have shown them capable of Tc s up to 250 to 260 kelvin. Predictions have shown yttrium superhydrides to be the most promising with an estimated Tc in excess of 300 kelvin for YH10. Here we report the synthesis of an yttrium superhydride that exhibits superconductivity at a critical temperature of 262 kelvin at 182 gigapascal. A palladium thin film assists the synthesis by protecting the sputtered yttrium from oxidation and promoting subsequent hydrogenation. Phonon mediated superconductivity is established by the observation of zero resistance, an isotope effect and the reduction of Tc under an external magnetic field. The upper critical magnetic field is 103 tesla at zero temperature. We suggest YH9 is the synthesized product based on comparison of the measured Raman spectra and Tc to calculated Raman results.",2012.13627v1 2022-07-08,Synthesis and Superconductivity in yttrium superhydrides under high pressure,"The flourishing rare earth superhydrides are a class of recently discovered materials that possess near-room-temperature superconductivity at high pressures, opening a new era of superconductivity research at high pressures. Among these superhydrides, yttrium superhydrides attracted great interest owing to their abundance of stoichiometries and excellent superconductivities. Here, we carried out a comprehensive study of yttrium superhydrides in a wide pressure range of 145-300 GPa. We successfully synthesized a series of superhydrides with the compositions of YH4, YH6, YH7, and YH9, and reported their superconducting transition temperatures of 82 K at 167 GPa, 218 K at 165 GPa, 29 K at 162 GPa, and 230 K at 300 GPa, respectively, which were evidenced by a sharp drop of resistivity. The structure and superconductivity of YH4, which was taken as a representative example, were also examined by X-ray diffraction measurements and the suppression of the superconductivity under external magnetic fields, respectively. Clathrate YH10 as a candidate of room-temperature superconductor was not synthesized within the studied pressure and temperature ranges of up to 300 GPa and 2000 K, respectively. The current work created a detailed platform for further searching room-temperature superconductors in polynary yttrium-based superhydrides.",2207.03918v1 2023-08-15,Theoretical Study of Inelastic Processes in Collisions of Y and Y$^+$ with Hydrogen Atom,"Utilizing a simplified quantum model approach, the low-energy inelastic collision processes between yttrium atoms (ions) and hydrogen atoms have been studied. Rate coefficients corresponding to the mutual neutralization, ion-pair formation, excitation, and de-excitation processes for the above collision systems have been provided in the temperature range of 1000-10000K. 3 ionic states and 73 covalent states are considered in calculations for the collisions of yttrium atoms with hydrogen atoms, which include 6 molecular symmetries and 4074 partial inelastic reaction processes. For the collisions of yttrium ions with hydrogen atoms, 1 ionic state and 116 covalent states are included, which related to 3 molecular symmetries and 13572 partial inelastic collision processes. It is found that the rate coefficients for the mutual neutralization process have a maximum at T = 6000K, which is an order of magnitude higher than those of other processes. Notably, the positions of optimal windows for the collisions of yttrium atoms and ions with hydrogen atoms are found near electronic binding energy -2eV (Y) and -4.4eV (Y$^+$), respectively. The scattering channels located in or near these optimal windows have intermediate-to-large rate coefficients (greater than $10^{-12}$ cm$^3$s$^{-1}$). The reported data should be useful in the study of non-local thermodynamic equilibrium modeling.",2308.07831v1 1999-11-01,"First Principles Study of Structural, Electronic and Magnetic Interplay in Ferroelectromagnetic Yttrium Manganite","We present results of local spin density approximation pseudopotential calculations for the ferroelectromagnet, yttrium manganite (YMnO3). The origin of the differences between ferroelectric and non-ferroelectric perovskite manganites is determined by comparing the calculated properties of yttrium manganite in its ferroelectric hexagonal and non-ferroelectric orthorhombic phases. In addition, orthorhombic YMnO3 is compared with the prototypical non-ferroelectric manganite, lanthanum manganite. We show that, while the octahedral crystal field splitting of the cubic perovskite structure causes a centro-symmetric Jahn-Teller distortion around the Mn3+ ion, the markedly different splitting in hexagonal perovskites creates an electronic configuration consistent with ferroelectric distortion. We explain the nature of the distortion, and show that a local magnetic moment on the Mn3+ ion is a requirement for it to occur.",9910524v2 2003-12-16,Electronic band structure of novel 18-K superconductor Y2C3 as compared with YC and YC2,"The electronic band structure of yttrium sesquicarbide Y2C3(Pu2C3 structural type) reported by Akimitsu et al. (2003) as a novel 18-K superconductor is investigated using the first-principle full-potential LMTO method and compared with those of yttrium mono- and dicarbide: cubic YC and 4-K superconductor YC2 (CaC2 structural type). Our results show that the enhanced Tc of Y2C3 as compared with YC2 may be interpreted by the electronic factors: the near-Fermi DOS for Y2C3 was found to be about 70% higher that for YC2, and the contribution from the C2p states increases. The Fermi level of the ""ideal"" bcc Y2C3 is located near the local DOS minimum, and the superconducting properties of Y2C3-based materials would be very sensitive to synthesis conditions and the presence of impurities and lattice vacancies. We suppose that by changing these factors it is possible to vary Tc for the yttrium sesquicarbide.",0312391v2 2009-03-10,Effect of the chemical pressure on superconductivity and SDW in undoped and 15%F doped La1-yYyFeAsO compounds,"We present a study concerning the partial substitution of yttrium at the lanthanum site of the undoped LaFeAsO and superconducting LaFeAsO0.85F0.15 compounds. We prepared samples with a nominal yttrium content up to 70% producing simultaneous shrinkage of both the a- and c-lattice parameters by 1.8% and 1.7%, respectively. The chemical pressure provided by the partial substitution with this smaller ion size causes a lowering of the spin density wave temperature in the undoped compounds, as well as an increase of the superconducting transition temperatures in the doped ones. The 15% fluorine-doped samples reach a maximum critical temperature of 40.2 K for the 50% yttrium substitution. Comparison with literature data indicates that chemical pressure cannot be the only mechanism which tunes drastically both TSDW and Tc in 1111 compounds. Our data suggest that structural disorder induced by the partial substitution in the La site or by doping could play an important role as well.",0903.1825v2 2012-05-18,Surface oxide on thin films of yttrium hydride studied by neutron reflectometry,"The applicability of standard methods for compositional analysis is limited for H-containing films. Neutron reflectometry is a powerful, non-destructive method that is especially suitable for these systems due to the large negative scattering length of H. In this work we demonstrate how neutron reflectometry can be used to investigate thin films of yttrium hydride. Neutron reflectometry gives a strong contrast between the film and the surface oxide layer, enabling us to estimate the oxide thickness and oxygen penetration depths. A surface oxide layer of 5-10 nm thickness was found for unprotected yttrium hydride films.",1205.4132v1 2012-09-24,Microwave properties of Yttrium Vanadate at cryogenic temperatures,"Yttrium Vanadate (YVO4) is a birefringent crystal material used in optical isolators and circulators with potentials for application in cryogenic microwave devices. As microwave properties of the YVO4 are not known, we measured the complex permittivity at the frequency of 25 GHz, using the Hakki-Coleman dielectric resonator technique in the temperature range from 13 K to 80 K. The real part of relative permittivity of YVO4 turned out to be similar to that of Sapphire - one of popular dielectric materials, used at microwave frequencies. The measured loss tangent tang {\delta} of the YVO4 was of the order of 10^(-6) at cryogenic temperatures. As Yttrium Vanadate (YVO4) is easy to synthesis and machine, it may replace the expensive Sapphire in some microwave applications.",1209.5255v1 2014-05-02,Mott insulator-to-metal transition in yttrium-doped CaIrO3,"We report on the study of insulator-to-metal transition in post-perovskite compound CaIrO3. It is discovered that a gradual chemical substitution of calcium by yttrium leads to the onset of strong metallic behavior in this compound. This observation is in stark contrast to BaIrO3, which preserves its Mott insulating behavior despite excess of charge carriers due to yttrium doping. Magnetic measurements reveal that both compounds tend to exhibit magnetic character irrespective of the chemical substitution of Ca or Ba. We analyze these unusual observations in light of recent researches that suggest that unlike BaIrO3, CaIrO3 does not necessarily possess j = 1/2 ground state due to structural distortion. The insulator-to-metal transition in CaIrO3 will spur new researches to explore more exotic ground state, including superconductivity, in post-perovskite Mott insulators.",1405.0512v2 2016-09-05,New insights into the photochromic mechanism in oxygen-containing yttrium hydride thin films: an optical perspective,"Oxygen-containing yttrium hydride thin films exhibit a photochromic behavior: transparent thin films switch from a transparent state to a photodarkened state after being illuminated with UV or blue light. This feature has attracted much attention in recent years due to its potential applications in smart fenestration or in any device in which a response to intense light radiation is needed. However, the process responsible for the reversible change of the optical properties upon illumination is still not well understood. The objective of the present work is to shed some light on the photochromic mechanism by using an optical approach. On this basis, the optical properties of oxygen-containing yttrium hydride thin films have been studied by optical spectrophotometry and ellipsometry before (transparent state) and after UV illumination (dark state). According to the observed results, the photochromic optical change of the films can be explained quantitatively by the gradual growth, under illumination, of metallic phases within the initial wide-band gap semiconducting lattice.",1609.01054v1 2016-10-26,Synthesis of photochromic oxygen-containing yttrium hydride,"Photochromic oxygen-containing yttrium hydride has been synthesized using a two step process. The process consists of an initial sputter deposition of oxygen-free yttrium hydride YH$_\mathrm{x}$, followed by a controlled reaction with air that causes incorporation of oxygen into the material. An in-situ study of the YH$_\mathrm{x}$ as it reacted with oxygen was made possible by applying an aluminium capping layer with a low but non-zero oxygen permeability prior to air exposure. During the reaction, the visual appearance of the YH$_\mathrm{x}$ went from dark and opaque to transparent and yellowish. This transition was accredited incorporation of oxygen into the material, as shown through analysis with energy dispersive x-ray spectroscopy (EDS) and x-ray photoemission spectroscopy (XPS). Grazing incidence x-ray diffraction (GIXRD) studies revealed an fcc structure both before and after oxygen exposure, with a lattice parameter that increased from 5.2 {\AA} to 5.4 {\AA} during the reaction. With the lattice parameter in the oxygen free YH$_\mathrm{x}$ being equal to that reported earlier for YH$_\mathrm{2}$, our findings suggest that the non-reacted YH$_\mathrm{x}$ in this study is in-fact YH$_\mathrm{2}$.",1610.08263v1 2019-03-12,Light-induced breathing in photochromic yttrium oxy-hydrides,"When exposed to air, metallic yttrium dihydride YH2films turn into insulating and transparent yttrium oxy-hydride (YHO). The incorporation of oxygen causes the lattice expansion of YH2 and the emergence of photochromic properties. However, the oxidation of YH2 is not completely irreversible: under illumination some oxygen atoms move towards the YHO surface, leaving behind an oxygen-deficient bulk (responsible for the photochromic darkening and observed lattice contraction). Under illumination, and according to experimental evidence, some oxygen atoms can effectively leave the film, being replaced by other oxygen atoms once the illumination has stopped, i.e., YHO ""breathes"" when subjected to illumination/darkness cycling. Based on this ""breathing"", YHO films become more hydrophobic under illumination conditions than when kept in darkness. Ab-initio calculations point to the light-induced weakening of the Y-O bond as the possible mechanism for explaining these experimental observations.",1903.05021v1 2019-08-28,Thermal surface neutralization of Fr ions with metal foils for magneto-optical trapping of radioisotopes,"We investigate neutralization processes (especially thermal surface neutralization), which are required for the magneto-optical trapping of radioactive atoms. A variety of neutralization methods are first summarized: neutral beam injection for fusion reactors, neutral atom implantation in semiconductor processing, and the production of radioactive neutral atoms in accelerators. We focus on thermal surface neutralization, which produces neutral atoms in the thermal energy range for laser cooling. The experiments were carried out with yttrium, gadolinium, and zirconium foils to neutralize francium and rubidium ions for magneto-optical trapping. The results reconfirm that yttrium foil is a good neutralizer (i.e., it has a neutral release efficiency $>65\%$). In addition, the release fraction when using yttrium foil exceeds 75\% at 1350 K, which is greater than the release fraction for the other foils. This reconfirmation is important because few previous studies have focused on thermal surface neutralization. Moreover, the results show that the neutralization efficiency is strongly influenced by the experimental process itself.",1908.10698v1 2019-11-15,Yttrium Tantalum Oxynitride Multiphases as Photoanodes for Water Oxidation,"Perovskite yttrium tantalum oxynitride is theoretically proposed as a promising semiconductor for solar water splitting because of the predicted bandgap and energy positions of band edges. In experiment, however, we show here that depending on processing parameters, yttrium tantalum oxynitrides exist in multiphases, including the desired perovskite YTaON2, defect fluorite YTa(O,N,o)4, and N-doped YTaO4. These multiphases have bandgaps ranging between 2.13 and 2.31 eV, all responsive to visible light. The N-doped YTaO4, perovskite main phase, and fluorite main phase derived from crystalline fergusonite oxide precursors exhibit interesting photoelectrochemical performances for water oxidation, while the defect fluorite derived from low crystallized scheelite-type oxide precursors show negligible activity. Preliminarily measurements show that loading IrOx cocatalyst on N-doped YTaO4 significantly improves its photoelectrochemical performance encouraging further studies to optimize this new material for solar fuel production.",1911.06550v1 2019-12-23,Characterization of near-room-temperature superconductivity in yttrium superhydrides,"Recently, Troyan et al (2019 arXiv:1908.01534) and Kong et al (2019 arXiv:1909.10482) extended near-room-temperature superconductors family by new yttrium superhydride polymorphs, YHn (n = 4,6,7,9), which exhibit superconducting transition temperatures in the range of Tc = 210-243 K at pressure of P = 160-255 GPa. In this paper, temperature dependent upper critical field data, Bc2(T), for highly-compressed mixture of YH4+YH6 phases (reported by Kong et al 2019 arXiv:1909.10482) is analysed to deduce the ratio of Tc to the Fermi temperature, Tf. Our analysis shows that in all considered scenarios the YH4+YH6 mixture has the ratio 0.01 < Tc/Tf < 0.04. As the result, YH4+YH6 falls in the unconventional superconductors band in the Uemura plot. It is also found that the characteristic temperature of the order parameter amplitude fluctuations, Tfluc, in the YH4+YH6 mixture is only several percent above observed Tc, and thus the superconducting transition in yttrium superhydride polymorphs is fundamentally limited by thermodynamics fluctuations.",1912.10941v1 2021-05-30,Systematic studies of rubidium-exposed surfaces by X-ray photoelectron spectroscopy and light-induced atom desorption,"We systematically investigated various types of surfaces on which rubidium (Rb) atoms were deposited by X-ray photoelectron spectroscopy (XPS) and measured the light-induced atom desorption (LIAD) from those surfaces. The main surfaces of interest included synthetic quartz, yttrium metal, and paraffin. The Rb atoms deposited on quartz and yttrium surfaces by exposure to Rb vapor at room temperature were detected by XPS. Quartz is originally silicon dioxide. The yttrium surfaces were also oxidized, and Rb atoms reacted with oxygen on both surfaces. Conversely, Rb deposition was observed only at low temperatures on paraffin. Specifically, Rb atoms deposited on paraffin, which is not an oxygen compound, also formed oxygen compounds under ultrahigh vacuum conditions by reaction with the background gas. All examined surfaces showed a similar light wavelength or photon energy dependence, such that the LIAD rates increased with decreasing light wavelength. We presume that some types of compounds of alkali metal and oxygen can be ubiquitous sources for LIAD from many types of surfaces of alkali-metal vapor cells.",2105.14451v1 2021-11-18,Light outputs of yttrium doped BaF$_2$ crystals irradiated with neutrons,"The fast luminescence component of barium fluoride (BaF$_2$) crystals with a subnanosecond decay time can find wide application in particle physics and nuclear physics. However, the slow luminescence component with the 630~ns decay time could cause pile-up signals at a high rate environment. Doping of BaF$_2$ crystals with rare earth elements suppresses the slow emission component, but at the same time the radiation hardness of the crystals deteriorates. This work presents the results of studying crystal samples, both pure BaF$_2$ and those doped with yttrium in a proportion of 1at.\%Y, 3at.\%Y and 5at.\%Y, irradiated with a fast neutron fluence of about 2.3$\times$10$^{14}$~n/cm$^2$. Their light output and decay kinetics were measured before and after irradiation. It is found that the light output loss of a pure BaF$_2$ crystal after irradiation is about 7\%, and the light output loss of yttrium doped samples after irradiation is about two times higher. The measurement results demonstrate that after irradiation the fast component of each sample has a relative light output loss 2-3\% larger than the slow one.",2111.09672v1 2023-01-28,"Structure and Dynamics of a Lattice of Tetragonal Germanates R2Ge2O7 (R = Tb-Lu, Y): Ab Initio Calculation","The crystal structure, phonon spectrum, and elastic constants of a series of rare-earth germanates (including yttrium germanate R2Ge2O7 (R = Tb-Lu, Y)) with a tetragonal structure have been ab initio calculated within the density functional theory. The frequencies and types of fundamental vibrations and the intensities of IR and Raman modes are determined. The degrees of participation of ions in each mode are determined by analyzing the displacement vectors obtained as a result of the ab initio calculations. The calculations have been performed for the first time; there are no corresponding experimental data for the entire series of compounds (except for the IR and Raman spectra of yttrium germanate). The performed calculations made it possible to interpret and supplement the known data in the literature on IR and Raman spectra of yttrium germanate Y2Ge2O7.",2301.12196v1 2008-01-26,Magnetoelectric Control of Domain Walls in a Ferrite Garnet Film,"The effect of magnetic domain boundaries displacement induced by electric field is observed in epitaxial ferrite garnet films (on substrates with the (210) crystallographic orientation). The effect is odd with respect to the electric field (the direction of wall displacement changes with the polarity of the voltage) and even with respect to the magnetization in domains. The inhomogeneous magnetoelectric interaction as a possible mechanism of the effect is proposed.",0801.4073v1 2018-02-02,Separated quotients of Picard schemes,"We give some necessary and sufficient conditions for the existence of N\'{e}ron models of jacobians of semistable morphisms of arbitrary relative dimension over base schemes of arbitrary dimension. To do this, we introduce a notion of alignment for semistable morphisms over any regular base scheme, and show that the jacobian of an aligned projective semistable morphism admits a separated model with the N\'{e}ron mapping property. When the Picard scheme is smooth over the base scheme along its unit section we show that the converse holds.",1802.00618v2 2018-06-14,Garnet Ring Measurements For The Fermilab Booster 2nd Harmonic Cavity,"A perpendicularly biased tuneable 2nd harmonic cavity is being constructed for use in the Fermilab Booster. The cavity's tuner uses National Magnetics AL800 garnet as the tuning media. For quality control, the magnetic properties of the material and the uniformity of the properties within the tuner must be assessed. We describe two tests which are performed on the rings and on their corresponding witness samples.",1806.05716v1 2020-10-29,Miniature Annular Permanent Magnet Assembly with Fast Far Field Decay and Majority Collimated Central Field,"We report on a 3/8"" OD x 1/4"" ID x 3/8"" long NdFeB assembly of 1/16"" thick annulars boasting half the 1/100 far field transverse decay distance compared to an ID Helholtz-spaced pair of similar annulars; and greater than 50% of ID collimated better than 1/1000. The device is applied to a He-3,-4 laser spectroscopy experiment.",2011.02558v2 2021-01-10,Innovative Low Cost Laboratory Automation Environment and LabVIEW Reformation Application Case Study,"In recognition of the catalytic role of instruments, we report on an original, low-cost, robust, LabVIEW-based automation development environment configuration and application to reformation of a legacy laser atomic spectroscopy system. Open source, version and configuration control, full back-up, and remote/distributed capability characteristics make the new environment 500% better. System reformation using reusable type definitions, functional encapsulation, increased modularization, and polymorphism boosted performance 983%. Both the environment configuration and reformation strategies are transferrable to most endeavors.",2101.03637v1 2001-09-19,The Feynman Propagator from a Single Path,"We show that it is possible to construct the Feynman Propagator in one dimension, without quantization, from a single continuous space-time path.",0109092v2 1999-07-06,Dipolar random field Ising model: an application to garnet films,"The dipolar-random field Ising model (DRFIM) recently introduced displays a behaviour that can be connected to the magnetization of bidimensional magnetic media. Epitaxial magnetic garnet films seem to be the ideal test material for such a model. In this work the results of the measurements performed on garnet samples are presented, as well as the comparisons with simulation results obtained by the DRFIM. The results prove that a variety of hysteresis loops are well described by the DRFIM. This capability does not derive from the fine tuning of a great number of parameters, but by the interplay of exchange and dipolar interactions.",9907075v1 2000-10-05,Classical Heisenberg antiferromagnet on a garnet lattice: a Monte Carlo simulation,"We have studied a classical antiferromagnet on a garnet lattice by means of Monte Carlo simulations in an attempt to examine the role of geometrical frustration in Gadolinium Gallium Garnet, Gd3Ga5O12 (GGG). Low-temperature specific heat, magnetisation, susceptibility, the autocorrelation function A(t) and the neutron scattering function S(Q) have been calculated for several models including different types of magnetic interactions and with the presence of an external magnetic field applied along the principal symmetry axes. A model, which includes only nearest-neighbour exchange, J1, neither orders down to the lowest temperature nor does it show any tendency towards forming a short-range coplanar spin structure. This model, however, does demonstrate a magnetic field induced ordering below T ~ 0.01 J1. In order to reproduce the experimentally observed properties of GGG, the simulated model must include nearest neighbour exchange interactions and also dipolar forces. The presence of weak next-to-nearest exchange interactions is found to be insignificant. In zero field S(Q) exhibits diffuse magnetic scattering around positions in reciprocal space where antiferromagnetic Bragg peaks appear in an applied magnetic field.",0010088v1 2006-07-03,Interaction between superconducting vortices and Bloch wall in ferrite garnet film,"Interaction between a Bloch wall in a ferrite-garnet film and a vortex in a superconductor is analyzed in the London approximation. Equilibrium distribution of vortices formed around the Bloch wall is calculated. The results agree quantitatively with magneto-optical experiment where an in-plane magnetized ferrite-garnet film placed on top of NbSe2 superconductor allows observation of individual vortices. In particular, our model can reproduce a counter-intuitive attraction observed between vortices and a Bloch wall having the opposite polarity. It is explained by magnetic charges appearing due to discontinuity of the in-plane magnetization across the wall.",0607043v2 2017-12-05,Deep Neural Networks for Accurate Predictions of Garnet Stability,"Predicting the stability of crystals is one of the central problems in materials science. Today, density functional theory (DFT) calculations are the computational tool of choice to obtain energies of crystals with quantitative accuracy. Despite algorithmic and computing advances, DFT calculations remain comparatively expensive and scale poorly with system size. Here we show that deep neural networks utilizing just two descriptors - the Pauling electronegativity and ionic radii - can predict the DFT formation energies of C3A2D3O12 garnets with extremely low mean absolute errors of 7-8 meV/atom, an order of magnitude improvement over previous machine learning models and well within the limits of DFT accuracy. Further extension to mixed garnets with little loss in accuracy can be achieved using a binary encoding scheme that introduces minimal increase in descriptor dimensionality. Our results demonstrate that generalizable deep-learning models for quantitative crystal stability prediction can be built on a small set of chemically-intuitive descriptors. Such models provide the means to rapidly transverse vast chemical spaces to accurately identify stable compositions, accelerating the discovery of novel materials with potentially superior properties.",1712.01908v1 2021-12-23,"Steam Degradation of Ytterbium Disilicate Environmental Barrier Coatings: Effect of Composition, Microstructure and Temperature","Recession of environmental barrier coatings (EBC) in environments containing steam is a pressing concern that requires further research before their implementation in gas turbine engines can be realized. In this work, free-standing plasma sprayed Yb2Si2O7 coatings were exposed to flowing steam at 1350 {\deg}C and 1400 {\deg}C for 96 h. Three samples were investigated, one coating with a low porosity level (< 3 %) and 1 wt.% Al2O3 representing traditional EBCs; and two coatings with higher porosity levels (~20 %) representing abradable EBCs. Phase composition and microstructural evolution were studied in order to reveal the underlying mechanism for the interaction between high temperature steam and ytterbium disilicate. The results show depletion of Yb2SiO5 near the surface and formation of ytterbium garnet (Yb3Al5O12) on top of all three coatings due to the reaction with gaseous Al-containing impurities coming from the alumina furnace tubes. The 1 wt.% Al2O3 added to the EBC sample exacerbated the formation of garnet at 1400 {\deg}C compared to the abradable samples, which presented lower quantities of garnet. Additionally, inter-splat boundaries were visible after exposure, indicating preferential ingress of gaseous Al-containing impurities through the splat boundaries",2201.04939v1 2022-07-18,An Ab-initio study of the Y decorated 2D holey graphyne for hydrogen storage application,"Expanding pollution and rapid consumption of natural reservoirs (gas, oil, and coal) led humankind to explore alternative energy fuels like hydrogen fuel. Solid-state hydrogen storage is most desirable because of its usefulness in the onboard vehicle. In this work, we explored the yttrium decorated ultra porous, two-dimensional holey-graphyne for hydrogen storage. Using the first principles DFT simulations, we predict that yttrium doped holey graphyne can adsorb up to seven hydrogen molecules per yttrium atom resulting in a gravimetric hydrogen weight percentage of 9.34, higher than the target of 6.5 wt% set by the US Department of Energy (DoE). The average binding energy per H$_2$ and desorption temperature come out to be -0.34 eV and ~ 438 K, respectively. Yttrium atom is bonded strongly on HGY sheet due to charge transfer from Y 4d orbital to C 2p orbital whereas the adsorption of H$_2$ molecule on Y is due to Kubas-type interactions involving charge donation from H 1s orbital to Y 3d orbital and back donation with net charge gain by H 1s orbital. Furthermore, sufficient energy barriers for metal atom diffusion have been found to prevent the clustering of transition metal (yttrium) on the HGY sheet. The stability of the system at higher temperatures is analyzed using Ab-initio molecular dynamics (AIMD) method and the system is found to be stable at room and the highest desorption temperature. Stability of the system at higher temperatures, presence of adequate diffusion energy barrier to prevent metal-metal clustering, high gravimetric wt% of H$_2$ uptake with suitable binding energy, and desorption temperature signifies that Y-doped HGY is a promising material to fabricate high capacity hydrogen storage devices.",2207.08546v1 2010-11-09,First-principles modeling of the interactions of iron impurities with graphene and graphite,"Results of first principles modelling of interactions graphene and graphite with iron impurities predict the colossal difference between these two carbon allotropes. Insertion of the iron atoms between the planes of graphite is much more energetically favourable than adsorption of the iron adatom at graphite or graphene surface. High mobility of iron adatom over graphite surface and within bulk graphite is reported. Calculated values of formation energies for the substitutional iron impurities suggest that iron is more destructive for graphite than for graphene. This effect caused formation of uniform carbon environment of the iron atom inside the multilayer system. In contrast to graphene segregation of the substitutional iron impurities in graphite at the ambient conditions is not energetically favourable. Enhancement of interlayer bonding in contaminated graphite and purity of graphene from iron impurities are also reported.",1011.1950v1 2020-03-27,The Chemical Evolution of Galaxy Clusters: Dissecting the Iron Mass Budget of the Intracluster Medium,"We study the chemical evolution of galaxy clusters by measuring the iron mass in the ICM after dissecting the abundance profiles into different components. We use Chandra archival observations of 186 morphologically regular clusters in the redshift range [0.04, 1.07]. For each cluster we compute the iron abundance and gas density profiles. We aim at identifying in the iron distribution a central peak associated with the BCG, and an approximately constant plateau associated with early enrichment. We are able to firmly identify the two components in a significant fraction of the sample, simply relying on the fit of the abundance profile. We compute the iron mass included in the iron peak and plateau, and the gas mass-weighted iron abundance out to $r_{500}$. While the iron plateau shows no evolution, we find marginal decrease with redshift in the iron peak. We measure that the fraction of iron peak mass is typically a few percent (~1%) of the total iron mass within $r_{500}$. Therefore, since the total iron mass budget is dominated by the plateau, we find consistently that the global gas mass-weighted iron abundance does not evolve significantly. We are also able to reproduce past claims of evolution in the global iron abundance, which turn out to be due to the use of cluster samples with different selection methods combined to the use of emission-weighted instead of gas mass-weighted abundance values. Finally, while the intrinsic scatter in the iron plateau mass is consistent with zero, the iron peak mass exhibits a large scatter, in line with the fact that the peak is produced after the virialization of the halo and depends on the formation of the hosting cool core and the associated feedback processes. We conclude that only a spatially-resolved approach can resolve the issue of the ICM iron evolution, reconciling the contradictory results obtained in the last ten years.",2003.12426v2 2006-09-15,Fluorescence from metallic silver and iron nanoparticles prepared by exploding wire technique,"The observation of intense visible fluorescence from silver and iron nanoparticles in different solution phases and surface capping is reported here. Metallic silver and iron nanoparticles were obtained by exploding pure silver and iron wires in pure water. Bovine serum albumin protein adsorption on the silver nanoparticles showed an enhanced fluorescence. The presence of poly-vinyl pyrrolidone polymer in the exploding medium resulted in a stabilized growth of iron nanoparticles with enhanced fluorescence intensity. The fluorescence was found to be surface /interface dependant. The fluorescence is attributed to electronic transitions among characteristic interface energy bands. The magnetic nature of iron nanoparticles was confirmed from the hysteresis measurements.",0609369v1 2011-11-24,IrOnIc: How to Consider Hundreds of Millions of Iron-Group Lines in NLTE Model-Atmosphere Calculations,"Iron-group elements have a very high number of atomic levels and an overwhelming number of spectral lines. No NLTE model-atmosphere code can cope with these in a classical way. A statistical approach was developed over the last decade to decrease the number of levels and lines to a manageable amount. The Iron Opacity and Interface (IrOnIc) calculates sampled cross-sections and model-atom files as input for model-atmosphere computations. IrOnIc is presently transferred into a parallelized code to reduce the calculation time to a reasonable value. It will be accessible by the public as a service of the German Astrophysical Virtual Observatory.",1111.5740v1 2014-04-30,Superconducting Gaps via Raman Scattering in Iron Superconductors,"We investigate non-resonant Raman response for iron-based superconductors using the framework of an effective S4 model that was recently proposed to capture the essential electronic and magnetic properties of Iron based superconductors. We compute the momentum matrix elements and the resulting Raman vertices exactly for different polarization geometries and amazingly find that a simple coskxcosky superconducting gap function is in good agreement with experimental data measured in both iron-pnictides and iron-chalcogenides. The Raman peaks are also matched quantitatively with the measured superconducting gaps by other experimental techniques. The result strengthens the validity of the S4 model and the dominance of the s-wave pairing for iron-based superconductors.",1404.7745v1 2024-03-26,Suzaku observation of an iron K-shell line in the spiral galaxy NGC 6946,"An emission line at ~6.7 keV is attributable to a He-like iron K-shell transition, which indicates existence of a thin thermal plasma with a temperature of several keV. Using Suzaku archival data, we searched for the iron K-line from the spiral galaxy NGC 6946, and found the iron K-line at 6.68+/-0.07 keV at the 3.1 sigma level in the central r<2.'5 region. The iron line luminosity from the central region was estimated to be (2.3+/-1.2)x10^{37} erg s^{-1} at a distance of 5.5 Mpc. The origin of the iron emission line is discussed.",2403.17300v1 2013-08-27,A Computational Model of Liver Iron Metabolism,"Iron is essential for all known life due to its redox properties, however these same properties can also lead to its toxicity in overload through the production of reactive oxygen species. Robust systemic and cellular control are required to maintain safe levels of iron and the liver seems to be where this regulation is mainly located. Iron misregulation is implicated in many diseases and as our understanding of iron metabolism improves the list of iron-related disorders grows. Recent developments have resulted in greater knowledge of the fate of iron in the body and have led to a detailed map of its metabolism, however a quantitative understanding at the systems level of how its components interact to produce tight regulation remains elusive. A mechanistic computational model of human liver iron metabolism, which includes the core regulatory components, was constructed based on known mechanisms of regulation and on their kinetic properties, obtained from several publications. The model was then quantitatively validated by comparing its results with previously published physiological data, and it is able to reproduce multiple experimental findings. A time course simulation following an oral dose of iron was compared to a clinical time course study and the simulation was found to recreate the dynamics and time scale of the systems response to iron challenge. A disease simulation of haemochromatosis was created by altering a single reaction parameter that mimics a human haemochromatosis gene (HFE) mutation. The simulation provides a quantitative understanding of the liver iron overload that arises in this disease. This model supports and supplements understanding of the role of the liver as an iron sensor and provides a framework for further modelling, including simulations to identify valuable drug targets and design of experiments to improve further our knowledge of this system.",1308.5826v1 2016-11-25,Thermodynamics and Charging of Interstellar Iron Nanoparticles,"Interstellar iron in the form of metallic iron nanoparticles may constitute a component of the interstellar dust. We compute the stability of iron nanoparticles to sublimation in the interstellar radiation field, finding that iron clusters can persist down to a radius of $\simeq 4.5\,$\AA, and perhaps smaller. We employ laboratory data on small iron clusters to compute the photoelectric yields as a function of grain size and the resulting grain charge distribution in various interstellar environments, finding that iron nanoparticles can acquire negative charges particularly in regions with high gas temperatures and ionization fractions. If $\gtrsim 10\%$ of the interstellar iron is in the form of ultrasmall iron clusters, the photoelectric heating rate from dust may be increased by up to tens of percent relative to dust models with only carbonaceous and silicate grains.",1611.08607v1 2021-05-12,Iron-silica interaction during reduction of precipitated silica-promoted iron oxides using in situ XRD and TEM,"The effect of silica-promotion on the reduction of iron oxides in hydrogen was investigated using in situ X-ray diffraction and aberration-corrected transmission electron microscopy to understand the mechanism of reduction and the identity of the iron(II) silicate phase that has historically been designated as the cause of the iron-silica interaction in such materials. In the absence of a silica promoter the reduction of hematite to {\alpha}-Fe proceeds via magnetite. Silica promoted amorphous iron oxide is reduced to {\alpha}-Fe via stable magnetite and w\""ustite phases. During reduction of silica-promoted iron oxide, Fe0 diffuses out of the amorphous silica-promoted iron oxide matrix upon reduction from Fe2+ and coexists with an amorphous Fe-O-Si matrix. Certain portions of w\""ustite remain difficult to reduce to {\alpha}-Fe owing to the formation of a protective silica-containing layer covering the remaining iron oxide regions. Given sufficient energy, this amorphous Fe-O-Si material forms ordered, crystalline fayalite.",2105.05620v1 2008-08-01,Measurement of diffusion coefficients of francium and rubidium in yttrium based on laser spectroscopy,"We report the first measurement of the diffusion coefficients of francium and rubidium ions implanted in a yttrium foil. We developed a methodology, based on laser spectroscopy, which can be applied to radioactive and stable species, and allows us to directly take record of the diffusion time. Francium isotopes are produced via fusion-evaporation nuclear reaction of a 100 MeV 18-O beam on a Au target at the Tandem XTU accelerator facility in Legnaro, Italy. Francium is ionized at the gold-vacuum interface and Fr+ ions are then transported with a 3 keV electrostatic beamline to a cell for neutralization and capture in a magneto-optical trap (MOT). A Rb+ beam is also available, which follows the same path as Fr+ ions. The accelerated ions are focused and implanted in a 25 um thick yttrium foil for neutralization: after diffusion to the surface, they are released as neutrals, since the Y work function is lower than the alkali ionization energies. The time evolution of the MOT and the vapor fluorescence signals are used to determine diffusion times of Fr and Rb in Y as a function of temperature.",0808.0152v1 2019-04-15,Crystal field coefficients for yttrium analogues of rare-earth/transition-metal magnets using density-functional theory in the projector-augmented wave formalism,"We present a method of calculating crystal field coefficients of rare-earth/transition-metal (RE-TM) magnets within density-functional theory (DFT). The principal idea of the method is to calculate the crystal field potential of the yttrium analogue (""Y-analogue"") of the RE-TM magnet, i.e. the material where the lanthanide elements have been substituted with yttrium. The advantage of dealing with Y-analogues is that the methodological and conceptual difficulties associated with treating the highly-localized 4f electrons in DFT are avoided, whilst the nominal valence electronic structure principally responsible for the crystal field is preserved. In order to correctly describe the crystal field potential in the core region of the atoms we use the projector-augmented wave formalism of DFT, which allows the reconstruction of the full charge density and electrostatic potential. The Y-analogue crystal field potentials are combined with radial 4f charge densities obtained in self-interaction-corrected calculations on the lanthanides to obtain crystal field coefficients. We demonstrate our method on a test set of 10 materials comprising 9 RE-TM magnets and elemental Tb. We show that the calculated easy directions of magnetization agree with experimental observations, including a correct description of the anisotropy within the basal plane of Tb and NdCo$_5$. We further show that the Y-analogue calculations generally agree quantitatively with previous calculations using the open-core approximation to treat the 4f electrons, and argue that our simple approach may be useful for large-scale computational screening of new magnetic materials.",1904.06896v1 2001-08-17,Magnetic polarons in Ca_(1-x)Y_xMnO_3,"Experimental evidence show that in the magnetoresistive manganite Ca_(1-x) Y_xMnO_3, ferromagnetic (FM) polarons arises in an antiferromagnetic (AF) background, as a result of the doping with Yttrium. This hypothesis is supported in this work by classical Monte Carlo (MC) calculations performed on a model where FM Double Exchange (DE) and AF Superexhange (SE) compite.",0108284v1 2005-11-15,A Simple Model for Simple Aging in Glassy Yttrium-Hydrides,"A simple explanation for the logarithmic aging of the photoconductivity in yttriumhydride is proposed. We show that the scaling (``simple'' aging) of the relaxation response with the illumination time t_w is consistent with the superposition of independently relaxing excitations with time offsets distributed over a window of width t_w.",0511383v1 2008-05-28,Nernst effect of epitaxial YBCO films doped with Ca and Zn,"We report Nernst effect measurements for some crystalline films of Ca and Zn-doped yttrium barium copper oxide grown by pulsed laser deposition. We argue that our results and most of the published data for LSCO are consistent with the theory of Gaussian superconducting fluctuations.",0805.4293v1 2016-06-12,The green light generation by self-frequency-doubled Yb:YCOB crystal,"Taking advantages of the broad emission bands of a Yb3+ doped calcium yttrium oxoborate (Yb:YCOB) crystal cut along the optimized direction out of principle planes with the maximum effective nonlinear coefficient, the self-frequency-doubled green light based on the self-frequency-doubling behavior of Yb:YCOB was achieved with a maximum output power of 710 mW at 523 nm.",1606.03678v1 2020-12-08,Superconductivity at 253 K in lanthanum-yttrium ternary hydrides,"Polyhydrides offer intriguing perspectives as high-temperature superconductors. Here we report the high-pressure synthesis of a series of lanthanum-yttrium ternary hydrides: cubic hexahydride $(La,Y)H_{6}$ with a critical temperature $T_{C}$ = 237 +/- 5 K and decahydrides $(La,Y)H_{10}$ with a maximum $T_{C}$ ~${253 K}$ and an extrapolated upper critical magnetic field $B_{C2(0)}$ up to ${135 T}$ at 183 GPa. This is one of the first examples of ternary high-$T_{C}$ superconducting hydrides. Our experiments show that a part of the atoms in the structures of recently discovered ${Im3m}$-$YH_{6}$ and ${Fm3m}$-$LaH_{10}$ can be replaced with lanthanum (~70 %) and yttrium (~25 %), respectively, with a formation of unique ternary superhydrides containing incorporated $La@H_{24}$ and $Y@H_{32}$ which are specific for ${Im3m}$-$LaH_{6}$ and ${Fm3m}$-$YH_{10}$. Ternary La-Y hydrides were obtained at pressures of 170-196 GPa via the laser heating of $P6_{3}$${/mmc}$ lanthanum-yttrium alloys in the ammonia borane medium at temperatures above 2000 K. A novel tetragonal $(La,Y)H_{4}$ was discovered as an impurity phase in synthesized cubic $(La,Y)H_{6}$. The current-voltage measurements show that the critical current density $J_{C}$ in $(La,Y)H_{10}$ may exceed $2500 A/mm^{2}$ at 4.2 K, which is comparable with that for commercial superconducting wires such as ${NbTi}$, $Nb_{3}$${Sn}$. Hydrides that are unstable in a pure form may nevertheless be stabilized at relatively low pressures in solid solutions with superhydrides having the same structure.",2012.04787v1 2017-07-03,Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study,"Ionic transport in solid electrolytes can often be approximated as ions performing a sequence of hops between distinct lattice sites. If these hops are uncorrelated, quantitative relationships can be derived that connect microscopic hopping rates to macroscopic transport coefficients. At non-dilute concentrations the relationships between hopping frequency, diffusion coefficient, and ionic conductivity deviate from the random walk case, with this deviation quantified by single-particle and collective correlation factors, $f$ and $f_\mathrm{I}$. These factors vary between materials, and depend on the concentration of mobile particles, the nature of the interactions, and the host lattice geometry. Here we study these correlation effects for the garnet lattice using lattice-gas Monte Carlo simulations. We find that for non-interacting particles (volume exclusion only) single-particle correlation effects are more significant than for any previously studied three-dimensional lattice. This is attributed to the presence of two-coordinate lattice sites, which causes correlation effects intermediate between typical three-dimensional and one-dimensional lattices. Including nearest-neighbour repulsion and on-site energies produces more complex single-particle correlations and introduces collective correlations. We predict particularly strong correlation effects at $x_\mathrm{Li}=3$ (from site energies) and $x_\mathrm{Li}=6$ (from nearest-neighbour repulsion). Both effects are consequences of ordering of the mobile particles. Using these simulation data, we consider tuning the mobile ion stoichiometry to maximise the ionic conductivity, and show that the ""optimal"" composition is highly sensitive to the precise nature and strength of the microscopic interactions. Finally, we discuss the practical implications of these results in the context of lithium garnets and other solid electrolytes.",1707.00491v2 2018-01-09,Absence of magnetic ordering and field induced phase diagram in the Gadolinium Aluminium garnet,"The robustness of spin liquids with respect to small perturbations, and the way magnetic frustration can be lifted by slight changes in the balance between competing magnetic interactions remains a rich and open issue. We address this question through the study of the Gadolinium Aluminium garnet Gd$_3$Al$_5$O$_{12}$, a related compound to the extensively studied Gd$_3$Ga$_5$O$_{12}$. We report on its magnetic properties at very low temperature. We show that despite a freezing at about 300 mK, no magnetic transition is observed, suggesting the presence of a spin liquid state down to the lowest temperatures similarly to Gd$_3$Ga$_5$O$_{12}$, in spite of a larger ratio between exchange and dipolar interactions. Finally, the phase diagram as a function of field and temperature is strongly reminiscent from the one reported in Gd$_3$Ga$_5$O$_{12}$. This study reveals the robust nature of the spin liquid phase for Gd ions on the garnet lattice in stark contrast to Gd ions on the pyrochlore lattice for which a slight perturbation drives the compound into a range of magnetically ordered states.",1801.02836v1 2019-05-09,Crystal fields and magnetic structure of the Ising antiferromagnet Er$_3$Ga$_5$O$_{12}$,"Rare earth garnets are an exciting playground for studying the exotic magnetic properties of the frustrated hyperkagome lattice. Here we present a comprehensive study of the single ion and collective magnetic properties of the garnet Er$_3$Ga$_5$O$_{12}$. Using inelastic neutron scattering, we find a crystal field ground state doublet for Er$^{3+}$ with strong Ising anisotropy along local [100] axes. Magnetic susceptibility and heat capacity measurements provide evidence for long-range magnetic ordering with $T_N$~$=$~0.8~K, and no evidence for residual entropy is found when cooling through the ordering transition. Neutron powder diffraction reveals that the ground state spin configuration corresponds to the six-sublattice, Ising antiferromagnetic state ($\Gamma_3$) common to many of the rare earth garnets. However, we also found that $\mu$SR appears to be insensitive to the ordering transition in this material, in which a low-temperature relaxation plateau was observed with no evidence of spontaneous muon precession. The combined muon and neutron results may be indicative of a dynamical ground state with a relatively long correlation time. Despite this potential complication, our work indicates that Er$_3$Ga$_5$O$_{12}$ is an excellent model system for studying the complex metamagnetism expected for a multi-axis antiferromagnet.",1905.03687v2 2023-04-27,"Modeling diffusion in ionic, crystalline solids with internal stress gradients","Intracrystalline diffusion is an invaluable tool for estimating timescales of geological events. Diffusion is typically modeled using gradients in chemical potential. However, chemical potential is derived for uniform pressure and temperature conditions and therefore cannot be used to model diffusion when there are gradients in stress. Internal stress variations in minerals create gradients in strain energy which will drive diffusion. Consequently, it is necessary to have a method that incorporates stress variations into diffusion models. We derive a flux expression that allows diffusion to be modeled in ionic, crystalline solids under arbitrary stress states. Our derivation utilizes gradients in a thermodynamic potential called relative chemical potential which quantifies changes in free energy due to the exchanges of constituents on lattice sites under arbitrary stress conditions. We apply our derivation to the common quaternary garnet solid solution almandine-pyrope-grossular-spessartine. The rates and directions of divalent cation diffusion in response to stress are determined by endmember molar volume or lattice parameters, elastic moduli, and non-ideal activity interaction parameters. Our results predict that internal stress variations of one hundred MPa or more are required to shift garnet compositions by at least a few hundredths of a mole fraction. Mineral inclusions in garnet present a potential environment to test and apply our stress-driven diffusion approach, as stress variations ranging from hundreds of MPa to GPa-level are observed or predicted around such inclusions. The ability to model stress-induced diffusion may provide new information about the magnitudes of both intracrystalline stresses and the timescales during which they occurred, imparting a better understanding of large-scale tectono-metamorphic processes.",2304.14330v2 2018-08-21,Spatial Distribution of Metals in the ICM: Evolution of the Iron Excess in Relaxed Galaxy Clusters,"We investigate the spatial distribution of iron in the intra-cluster medium in a selected sample of 41 relaxed clusters in the redshift range $0.05 < z < 1.03$ using {\sl Chandra} archival data. We compute the azimuthally-averaged, deprojected $Z_{\rm Fe}$ profile of each cluster out to $\sim 0.4r_{500}$, and identify a peak in the distribution of iron followed by a flatter distribution at larger radii. Due to the steep gradient both in gas density and abundance, we find that the emission-weighted iron abundance within $0.2r_{500}$, which entirely includes the iron peak in most of the cases, is on average $\sim$25\% higher than the mass-weighted value, showing that spatially resolved analysis and accurate deprojection are key to study the evolution of iron enrichment in the very central regions of cool core clusters. We quantify the extent of the iron distribution in each cluster with a normalized scale parameter $r_{\rm Fe}$, defined as the radius where the iron abundance excess is half of its peak value. We find that $r_{\rm Fe}$ increases by a factor of $\sim 3$ from $z\sim 1$ to $z\sim 0.1$, suggesting that the spatial distribution of iron in the ICM extends with time, possibly due to the mixing with the mechanical-mode feedback from the central galaxy. We also find that the iron mass excess within $0.3r_{500}$, when normalized to the total baryonic mass within the same region, does not evolve significantly, showing that this iron mass component is already established at $z\sim 1$.",1808.06742v1 2023-09-05,"Isotopic constraints on genetic relationships among group IIIF iron meteorites, Fitzwater Pass, and the Zinder pallasite","Complex interelement trends among magmatic IIIF iron meteorites are difficult to explain by fractional crystallization and have raised uncertainty about their genetic relationships. Nucleosynthetic Mo isotope anomalies provide a powerful tool to assess if individual IIIF irons are related to each other. However, while trace-element data are available for all nine IIIF irons, Mo isotopic data are limited to three samples. We present Mo isotopic data for all but one IIIF irons that help assess the genetic relationships among these irons, together with new Mo and W isotopic data for Fitzwater Pass (classified IIIF), and the Zinder pallasite (for which a cogenetic link with IIIF irons has been proposed). After correction for cosmic-ray exposure, the Mo isotopic compositions of the IIIF irons are identical within uncertainty and confirm their belonging to carbonaceous chondrite-type (CC) meteorites. The mean Mo isotopic composition of Group IIIF overlaps those Groups IIF and IID, but a common parent body for these groups is ruled out based on distinct trace element systematics. The new Mo isotopic data do not argue against a single parent body for the IIIF irons, and suggest a close genetic link among these samples. By contrast, Fitzwater Pass has distinct Mo and W isotopic compositions, identical to those of some non-magmatic IAB irons. The Mo and W isotope data for Zinder indicate that this meteorite is not related to IIIF irons, but belongs to the non-carbonaceous (NC) type and has the same Mo and W isotopic composition as main-group pallasites.",2309.02518v1 1998-03-21,Interfaces of Modulated Phases,"Numerically minimizing a continuous free-energy functional which yields several modulated phases, we obtain the order-parameter profiles and interfacial free energies of symmetric and non-symmetric tilt boundaries within the lamellar phase, and of interfaces between coexisting lamellar, hexagonal, and disordered phases. Our findings agree well with chevron, omega, and T-junction tilt-boundary morphologies observed in diblock copolymers and magnetic garnet films.",9803260v1 2002-06-03,The Dirac Equation in Classical Statistical Mechanics,"The Dirac equation, usually obtained by `quantizing' a classical stochastic model is here obtained directly within classical statistical mechanics. The special underlying space-time geometry of the random walk replaces the missing analytic continuation, making the model `self-quantizing'. This provides a new context for the Dirac equation, distinct from its usual context in relativistic quantum mechanics.",0206016v1 2002-06-14,Entwined Pairs and Schroedinger 's Equation,"We show that a point particle moving in space-time on entwined-pair paths generates Schroedinger's equation in a static potential in the appropriate continuum linit. This provides a new realist context for the Schroedinger equation within the domain of classical stochastic processes. It also suggests that self-quantizing systems may provide considerable insight into conventional quantum mechanics.",0206095v1 2017-07-22,Gaussian and plane-wave mixed density fitting for periodic systems,"We introduce a mixed density fitting scheme that uses both a Gaussian and a plane-wave fitting basis to accurately evaluate electron repulsion integrals in crystalline systems. We use this scheme to enable efficient all-electron Gaussian based periodic density functional and Hartree-Fock calculations.",1707.07114v1 2018-03-27,An efficient stochastic algorithm for the perturbative density matrix renormalization group in large active spaces,"We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved in solving the first order equation in the earlier deterministic algorithm. We demonstrate the efficiency and accuracy of the algorithm on the C$_2$ and Cr$_2$ molecular benchmark systems.",1803.09943v1 2018-03-27,Density Matrix Embedding Theory and Strongly Correlated Lattice Systems,"This thesis describes the development of the density matrix embedding theory (DMET) and its applications to lattice strongly correlated electron problems, including a review of DMET theory and algorithms (Ch 2), investigation of finite size scaling (Ch 3), Applications to high-temperature superconductivity (Ch 4-6), a framework for finite-temperature DMET (Ch 7).",1803.10259v1 2008-05-30,A brief comment on the chemical formulae of the rare earth iron arsenide oxide superconductors,"Just a brief comment on the chemical formulae of the rare earth iron arsenide oxide superconductors",0805.4668v1 2010-11-08,Magnetoelastic Effects in Iron Telluride,"Iron telluride doped lightly with selenium is known to undergo a first order magneto-structural transition before turning superconducting at higher doping. We study the effects of magneto-elastic couplings on this transition using symmetry considerations. We find that the magnetic order parameters are coupled to the uniform monoclinic strain of the unit cell with one iron per cell, as well as to the phonons at high symmetry points of the Brillouin zone. In the magnetic phase the former gives rise to monoclinic distortion while the latter induces dimerization of the ferromagnetic iron chains due to alternate lengthening and shortening of the nearest-neighbour iron-iron bonds. We compare this system with the iron arsenides and propose a microscopic magneto-elastic Hamiltonian which is relevant for all the iron based superconductors. We argue that this describes electron-lattice coupling in a system where electron-electron interaction is crucial.",1011.1932v2 2015-07-23,Single solenoidal magnetic system for Iron-free detector,"We consider a single solenoidal system for possible usage in Iron-free detectors for future linear colliders",1507.06694v1 2016-02-16,Multi-Sensor Surface Analysis for Robotic Ironing,"Robotic manipulation of deformable objects remains a challenging task. One such task is to iron a piece of cloth autonomously. Given a roughly flattened cloth, the goal is to have an ironing plan that can iteratively apply a regular iron to remove all the major wrinkles by a robot. We present a novel solution to analyze the cloth surface by fusing two surface scan techniques: a curvature scan and a discontinuity scan. The curvature scan can estimate the height deviation of the cloth surface, while the discontinuity scan can effectively detect sharp surface features, such as wrinkles. We use this information to detect the regions that need to be pulled and extended before ironing, and the other regions where we want to detect wrinkles and apply ironing to remove the wrinkles. We demonstrate that our hybrid scan technique is able to capture and classify wrinkles over the surface robustly. Given detected wrinkles, we enable a robot to iron them using shape features. Experimental results show that using our wrinkle analysis algorithm, our robot is able to iron the cloth surface and effectively remove the wrinkles.",1602.04918v1 2016-02-22,Iron Oxide Surfaces,"The surface science of iron oxides is comprehensively reviewed. For the full abstract please see pdf.",1602.06774v1 2016-03-16,Magnetic Properties Controlled by Interstitial or Interlayer Cations in Iron Chalcogenides,"By applying density functional theory calculations to iron chalcogenides, we find that magnetic order in Fe$_{1+y}$Te and magnetic instability at $(\pi,\pi)$ in K$_y$Fe$_2$Se$_2$ are controlled by interstitial and interlayer cations, respectively. While in Fe$_{1+y}$Te, magnetic phase transitions occur among collinear, exotic bicollinear and plaquette-ordered antiferronmagnetic states when the height of interstitial irons measured from iron plane or the concentration of interstitial irons is varied, the magnetic instability at $(\pi,\pi)$ which is believed to be responsible for the Cooper pairing in iron pnictides is significantly enhanced when $y$ is much smaller than $1$ in K$_y$Fe$_2$Se$_2$. Our results indicate that, similar to iron pnictides, itinerant electrons play important roles in iron chalcogenides, even though the fluctuating local moments become larger.",1603.04952v1 2017-06-12,Basic electronic properties of iron selenide under variation of structural parameters,"Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron-selenide if the structural parameters could be tuned at liberty. We calculate the momentum-dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising new ways of tuning superconducting transition temperatures in these materials. On the one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.",1706.03543v2 2022-04-08,Nucleation and growth of iron pebbles explains the formation of iron-rich planets akin to Mercury,"The pathway to forming the iron-rich planet Mercury remains mysterious. Mercury's core makes up 70% of the planetary mass, which implies a significant enrichment of iron relative to silicates, while its mantle is strongly depleted in oxidized iron. The high core mass fraction is traditionally ascribed to evaporative loss of silicates, e.g. following a giant impact, but the high abundance of moderately volatile elements in the mantle of Mercury is inconsistent with reaching temperatures much above 1,000 K during its formation. Here we explore the nucleation of solid particles from a gas of solar composition that cools down in the hot inner regions of the protoplanetary disc. The high surface tension of iron causes iron particles to nucleate homogeneously (i.e., not on a more refractory substrate) under very high supersaturation. The low nucleation rates lead to depositional growth of large iron pebbles on a sparse population of nucleated iron nano-particles. Silicates in the form of iron-free MgSiO$_3$ nucleate at similar temperatures but obtain smaller sizes due to the much higher number of nucleated particles. This results in a chemical separation of large iron particles from silicate particles with ten times lower Stokes numbers. We propose that such conditions lead to the formation of iron-rich planetesimals by the streaming instability. In this view, Mercury formed by accretion of iron-rich planetesimals with a sub-solar abundance of highly reduced silicate material. Our results imply that the iron-rich planets known to orbit the Sun and other stars are not required to have experienced mantle-stripping impacts. Instead their formation could be a direct consequence of temperature fluctuations in protoplanetary discs and chemical separation of distinct crystal species through the ensuing nucleation process.",2204.04241v1 2023-03-21,Forming super-Mercuries: The role of stellar abundances,"Super-Mercuries, rocky exoplanets with bulk iron mass fraction of more than 60 per cent, appear to be preferentially hosted by stars with higher iron mass fraction than the Earth. It is unclear whether these iron-rich planets can form in the disc, or if giant impacts are necessary. Here we investigate the formation of super-Mercuries in their natal protoplanetary discs by taking into account their host stars' abundances (Fe, Mg, Si, S). We employ a disc evolution model which includes the growth, drift, evaporation and recondensation of pebbles to compute the pebble iron mass fraction. The recondensation of outward-drifting iron vapour near the iron evaporation front is the key mechanism that facilitates an increase in the pebble iron mass fraction. We also simulate the growth of planetary seeds around the iron evaporation front using a planet formation model which includes pebble accretion and planet migration, and compute the final composition of the planets. Our simulations are able to reproduce the observed iron compositions of the super-Mercuries provided that all the iron in the disc are locked in pure Fe grains and that the disc viscosity is low. The combined effects of slow orbital migration of planets and long retention time of iron vapour in low-viscosity discs makes it easier to form iron-rich planets. Furthermore, we find that decreasing the stellar Mg/Si ratio results in an increase in the iron mass fraction of the planet due to a reduction in the abundance of Mg2SiO4, which has a very similar condensation temperature as iron, in the disc. Our results thus imply that super-Mercuries are more likely to form around stars with low Mg/Si, in agreement with observational data.",2303.11948v1 2023-12-14,Past and Present Dynamics of the Iron Biogeochemical Cycle,"This chapter investigates the complexities surrounding the iron biogeochemical cycle from the Archean to present, with a focus on assessing the balance between iron sources and sinks during long periods of Earth's history with relatively invariable redox conditions, when steady state can be safely assumed. Currently, the residence time of iron in the ocean may be as short as approximately 5 years. The input flux of iron is highly sensitive to redox cycling in sediments, while its removal primarily occurs through dispersed processes of oxidation and precipitation. In the Archean, we find a significant imbalance between continental and hydrothermal inputs, which collectively contribute between 61,500 to 263,000 Gg/yr of dissolved iron to the oceans, and the most obvious sinks such as iron formations (IFs), which sequester up to ~43,000 Gg/yr of iron. A possible solution to this imbalance involves the dispersed abiotic precipitation and removal of iron as silicates, sulfides, and carbonates in marine basins. Additionally, we calculate the residence time of dissolved iron in the Archean oceans to be between 6 kyr and 3 Myr, which is significantly longer than the ocean mixing timescale. Our estimates indicate that under the anoxic Archean atmosphere, the iron cycle was more protracted than today, and the isotopic compositions and concentrations of dissolved iron were likely more uniform. Distinct water bodies were likely confined to limited areas or specific, dynamic systems with intense iron turnover, such as regions where deep-sea upwelling currents brought hydrothermal iron to photic zones rich in biotic or abiotic oxidants.",2312.09044v1 1997-09-18,Magnetic excitations and structural change in the S=1/2 quasi-one-dimensional magnet Sr_{14-x}Y_{x}Cu_{24}O_{41} (0 11,500K.",1005.2974v1 2011-01-04,The effect of varying Fe-content on transport properties of K intercalated iron selenide KxFe2-ySe2,"We report the successful growth of high-quality single crystals of potassium intercalated iron selenide KxFe2-ySe2 by Bridgeman method. The effect of iron vacancies on transport properties was investigated by electrical resistivity and magnetic susceptibility measurements. With varying iron content, the system passes from semiconducting/insulating to superconducting state. Comparing with superconductivity, the anomalous ""hump"" effect in the normal state resistivity is much more sensitive to the iron deficiency. The electrical resistivity exhibits a perfect metallic behavior (R300K/R35K=42) for the sample with little iron vacancies. Our results suggest that the anomalous ""hump"" effect in the normal state resistivity may be due to the ordering process of the cation vacancies in this non-stoichiometric compound rather than magnetic/structure transition. A trace of superconductivity extending up to near 44 K was also detected in some crystals of KxFe2-ySe2, which has the highest Tc of the reported iron selenides.",1101.0789v1 2011-07-30,Phase Separation and Magnetic Order in K-doped Iron Selenide Superconductor,"Alkali-doped iron selenide is the latest member of high Tc superconductor family, and its peculiar characters have immediately attracted extensive attention. We prepared high-quality potassium-doped iron selenide (KxFe2-ySe2) thin films by molecular beam epitaxy and unambiguously demonstrated the existence of phase separation, which is currently under debate, in this material using scanning tunneling microscopy and spectroscopy. The stoichiometric superconducting phase KFe2Se2 contains no iron vacancies, while the insulating phase has a \surd5\times\surd5 vacancy order. The iron vacancies are shown always destructive to superconductivity in KFe2Se2. Our study on the subgap bound states induced by the iron vacancies further reveals a magnetically-related bipartite order in the superconducting phase. These findings not only solve the existing controversies in the atomic and electronic structures in KxFe2-ySe2, but also provide valuable information on understanding the superconductivity and its interplay with magnetism in iron-based superconductors.",1108.0069v1 2011-10-04,Transition metal impurity effect on charge and spin density in iron: Ab initio calculations and comparison with Mössbauer data,"Density functional theory was applied to study influence of the isolated impurity located on the regular site of the alpha-Fe crystal on the charge and spin density (hyperfine interactions) on the iron nucleus. Calculations were performed by using both pseudopotential and the full potential methods. The scalar relativistic approximation was applied. Perturbations of the charge and spin density on iron were calculated for all d impurities soluble in iron and additionally for Ga impurity. It was found that impurities have measurable effect on the iron charge and spin density up to the second or third coordination shell depending on the impurity. Hyperfine parameters of iron adjacent to the impurity are affected by two intermixed physical mechanisms, i.e., the volume mismatch due to the impurity and electron band mixing caused by the electronic configuration of the impurity outer shells. Some correlations between ab initio calculations and Moessbauer experimental results are discussed. A table is provided with the parameters allowing calculate Moessbauer spectrum of the binary iron alloy with d impurity or Ga. On the other hand, provided parameters allow extraction from the Moessbauer data information about impurity concentration and eventual order.",1110.0717v1 2013-07-23,Exploration of iron-chalcogenide superconductors,"Iron-chalcogenide compounds with FeSe(Te, S) layers did not attract much attention until the discovery of high-Tc superconductivity (SC) in the iron-pnictide compounds at the begining of 2008. Compared with FeAs-based superconductors, iron-chalcogenide superconductors have aroused enormous enthusiasm to study the relationship between SC and magnetisms with several distinct features, such as different antiferromagnetic ground states with relatively large moments in the parents, indicating possibly different superconducting mechanisms, the existence of the excess Fe atoms or Fe vacancies in the crystal lattice. Another reason is that the large single crystals are easily grown for the iron-chalcogenide compounds. This review will focus on our exploration for the iron-chalcogenide superconductors and discussion on several issues, including the crystal structure, magnetic properties, superconductivity, and phase separation. Some of them reach a consensus but some important questions still remain to be answered.",1307.5991v1 2015-08-18,Elucidating the magnetic and superconducting phases in the alkali metal intercalated iron chalcogenides,"The complex interdigitated phases have greatly frustrated attempts to document the basic features of the superconductivity in the alkali metal intercalated iron chalcogenides. Here, using elastic neutron scattering, energy-dispersive x-ray spectroscopy, and resistivity measurements, we elucidate the relations of these phases in Rb$_{1-\delta}$Fe$_y$Se$_{2-z}$S$_z$. We find: i) the iron content is crucial in stabilizing the stripe antiferromagnetic (AF) phase with rhombic iron vacancy order ($y\approx1.5$), the block AF phase with $\sqrt{5}\times \sqrt{5}$ iron vacancy order ($y\approx1.6$), and the iron vacancy-free phase ($y\approx2$); ii) the superconducting phase ($z=0$) evolves into a metallic phase ($z>1.5$) with sulfur substitution due to the progressive decrease of the electronic correlation strength. Both the stripe AF phase and the block AF phase are Mott insulators. Our data suggest that there are miscibility gaps between these three phases. The existence of the miscibility gaps in the iron content is the key to understanding the relationship between these complicated phases.",1508.04482v1 2018-02-16,Manipulating surface magnetic order in iron telluride,"Control of emergent magnetic orders in correlated electron materials promises new opportunities for applications in spintronics. For their technological exploitation, it is important to understand the role of surfaces and interfaces to other materials and their impact on the emergent magnetic orders. Here, we demonstrate for iron telluride, the nonsuperconducting parent compound of the iron chalcogenide superconductors, determination and manipulation of the surface magnetic structure by low-temperature spin-polarized scanning tunneling microscopy. Iron telluride exhibits a complex structural and magnetic phase diagram as a function of interstitial iron concentration. Several theories have been put forward to explain the different magnetic orders observed in the phase diagram, which ascribe a dominant role either to interactions mediated by itinerant electrons or to local moment interactions. Through the controlled removal of surface excess iron, we can separate the influence of the excess iron from that of the change in the lattice structure.",1802.05978v2 2022-02-17,Pressure-induced superconductivity in iron-based spin-ladder compound BaFe2+δ(S1-Sex)3,"The iron-based superconductors had a significant impact on condensed matter physics. They have a common structural motif of a two-dimensional square iron lattice and exhibit fruitful physical properties as a strongly correlated electron system. During the extensive investigations, quasi-one-dimensional iron-based spin-ladder compounds attracted much attention as a platform for studying the interplay between magnetic and orbital ordering. In these compounds, BaFe2S3 and BaFe2Se3 were found to exhibit superconductivity under high pressure, having a different crystal and magnetic structure at low temperature. We report a brief review of the iron-based spin-ladder compound and recent studies for BaFe2+d(S1-xSex)3. BaFe2(S0.75 Se0.25)3 is in the vicinity of the boundary of two different magnetic phases and it is intriguing to perform high pressure experiments for studying superconductivity, since effects of large magnetic fluctuations on superconductivity are expected. The effect of iron stoichiometry on the interplay between magnetism and superconductivity is also studied by changing the iron concentration in BaFe2+dSe3.",2202.08525v1 2022-06-15,Anomalous Ettingshausen effect in iron-carbon alloys,"We have investigated the anomalous Ettingshausen effect (AEE) in iron-carbon alloys, i.e., cast irons and steel, using the lock-in thermography. All the alloys exhibit the clear AEE-induced temperature modulation, and their anomalous Ettingshausen coefficient is an order of magnitude greater than that of the pure iron at room temperature. The dimensionless figure of merit for AEE in the ductile cast iron is 55 times greater than that in the pure iron owing to the significant increase of the anomalous Ettingshausen coefficient. Our result reveals a potential of iron-carbon alloys as transverse thermoelectric materials, although the composition and microstructures optimizations are necessary.",2206.07322v2 2003-10-29,On the Iron content in rich nearby Clusters of Galaxies,"In this paper we study the iron content of a sample of 22 nearby hot clusters observed with BeppoSAX. We find that the global iron mass of clusters is tightly related to the cluster luminosity and that the relatively loose correlation between the iron mass and the cluster temperature follows from the combination of the iron mass vs. luminosity and luminosity vs. temperature correlations. The iron mass is found to scale linearly with the intracluster gas mass, implying that the global iron abundance in clusters is roughly constant. This result suggests that enrichment mechanisms operate at a similar rate in all clusters. By employing population synthesis and chemical enrichment models, we show that the iron mass associated to the abundance excess which is always found in the centre of cool core clusters can be entirely produced by the brightest cluster galaxy (BCG), which is always found at the centre of cool core clusters. The iron mass associated to the excess, the optical magnitude of the BCG and the temperature of the cluster are found to correlate with one another suggesting a link between the properties of the BCG and the hosting cluster. These observational facts lends strength to current formation theories which envisage a strong connection between the formation of the giant BCG and its hosting cluster.",0310828v1 2005-05-26,Thermal Evolution of Supernova Iron in Elliptical Galaxies,"In explaining the relative metal abundances observed in galaxy groups and clusters, it is generally assumed that all metals created by supernovae are present either in visible stars or the hot gas. We discuss here the possibility that some of the iron expelled into the hot gas by Type Ia supernovae may have radiatively cooled, avoiding detection by X-ray and optical observers. Hydrodynamic models of Type Ia explosions in the hot gas inside elliptical galaxies result in a gas of nearly pure iron that is several times hotter than the local interstellar gas. We describe the subsequent thermal evolution of the iron-rich gas as it radiates and thermally mixes with the surrounding gas. There is a critical time by which the iron ions must mix into the ambient gas to avoid rapid radiative cooling. We find that successful mixing is possible if the iron ions diffuse with large mean free paths, as in an unmagnetized plasma. However, in microgauss fields the Larmor radii of the iron ions are exceptionally small, so the field geometry must be highly tangled or radial to allow the iron to mix by diffusion faster than it cools by radiative losses. The possibility that some of the supernova iron cools cannot be easily discounted.",0505527v1 2005-12-16,A Magnetic and Moessbauer Spectral Study of Core/Shell Structured Fe/Au Nanoparticles,"Fe/Au nanoparticles have been chemically synthesized through a reverse micelle reaction and investigated by both conventional and synchrotron based x-ray diffraction and by magnetic and Moessbauer spectral studies. The powder x-ray diffraction patterns reveal both the presence of crystalline alpha-iron and gold and the absence of any crystalline iron oxides or other crystalline products. First-order reversal curves, along with the major hysteresis loops of the Fe/Au nanoparticles have been measured as a function of time in order to investigate the evolution of their magnetic properties. The iron-57 Moessbauer spectra of both uncoated iron nanoparticles and the Fe/Au nanoparticles have been measured at 78 and 295 K and indicate that two major iron containing components are present, namely the expected alpha-iron and the unexpected amorphous Fe1-xBx alloy; several poorly crystallized ordered iron(III) oxide components as well as paramagnetic iron(II) and iron(III) components are also observed. These results indicate that the Fe-core/Au-shell nanoparticles synthesized through reverse micelles are far more complex that had been believed.",0512413v1 2006-09-15,Magnetic properties of iron nanoparticles prepared by exploding wire technique,"Nanoparticles of iron were prepared in distilled water using very thin iron wires and sheets, by the electro-exploding wire technique. Transmission electron microscopy reveals the size of the nanoparticles to be in the range 10 to 50 nm. However, particles of different sizes can be segregated by using ultrahigh centrifuge. X-ray diffraction studies confirm the presence of the cubic phase of iron. These iron nanoparticles were found to exhibit fluorescence in the visible region in contrast to the normal bulk material. The room temperature hysteresis measurements upto a field of 1.0 tesla were performed on a suspension of iron particles in the solution as well as in the powders obtained by filtration. The hysteresis loops indicate that the particles are superparamagnetic in nature. The saturation magnetizations was ~ 60 emu / gm. As these iron particles are very sensitive to oxygen a coating of non-magnetic iron oxide tends to form around the particles giving it a core - shell structure. The core particle size is estimated theoretically from the magnetization measurements. Suspensions of iron nanoparticles in water have been proposed to be used as an effective decontaminant for ground water.",0609370v1 2008-12-08,The Iron abundance in Galactic Planetary Nebulae,"We constrain the iron abundance in a sample of 33 low-ionization Galactic planetary nebulae (PNe) using [Fe III] lines and correcting for the contribution of higher ionization states with ionization correction factors (ICFs) that take into account uncertainties in the atomic data. We find very low iron abundances in all the objects, suggesting that more than 90% of their iron atoms are condensed onto dust grains. This number is based on the solar iron abundance and implies a lower limit on the dust-to-gas mass ratio, due solely to iron, of M_dust/M_gas>1.3x10^{-3} for our sample. The depletion factors of different PNe cover about two orders of magnitude, probably reflecting differences in the formation, growth, or destruction of their dust grains. However, we do not find any systematic difference between the gaseous iron abundances calculated for C-rich and O-rich PNe, suggesting similar iron depletion efficiencies in both environments. The iron abundances of our sample PNe are similar to those derived following the same procedure for a group of 10 Galactic H II regions. These high depletion factors argue for high depletion efficiencies of refractory elements onto dust grains both in molecular clouds and AGB stars, and low dust destruction efficiencies both in interstellar and circumstellar ionized gas.",0812.1578v2 2010-06-25,Missing Iron Problem and Type Ia Supernova Enrichment of Hot Gas in Galactic Spheroids,"Type Ia supernovae (Ia SNe) provide a rich source of iron for hot gas in galactic stellar spheroids. However, the expected super-solar iron abundance of the hot gas is not observed. Instead, X-ray observations often show decreasing iron abundance toward galactic central regions, where the Ia SN enrichment is expected to be the highest. We examine the cause of this missing iron problem by studying the enrichment process and its effect on X-ray abundance measurements of the hot gas. The evolution of Ia SN iron ejecta is simulated in the context of galaxy-wide hot gas outflows, in both supersonic and subsonic cases, as may be expected for hot gas in galactic bulges or elliptical galaxies of intermediate masses. SN reverse-shock heated iron ejecta is typically found to have a very high temperature and low density, hence producing little X-ray emission. Such hot ejecta, driven by its large buoyancy, can quickly reach a substantially higher outward velocity than the ambient medium, which is dominated by mass loss from evolved stars. The ejecta is gradually and dynamically mixed with the medium at large galactic radii. The ejecta is also slowly diluted and cooled by {\sl insitu} mass injection from evolved stars. These processes together naturally result in the observed positive gradient in the average radial iron abundance distribution of the hot gas, even if mass-weighted. This trend is in addition to the X-ray measurement bias that tends to underestimate the iron abundance for the hot gas with a temperature distribution.",1006.4976v1 2014-05-16,A hidden reservoir of Fe/FeS in interstellar silicates?,"The depletion of iron and sulphur into dust in the interstellar medium and the exact nature of interstellar amorphous silicate grains is still an open question. We study the incorporation of iron and sulphur into amorphous silicates of olivine- and pyroxene-type and their effects on the dust spectroscopy and thermal emission. We used the Maxwell-Garnett effective-medium theory to construct the optical constants for a mixture of silicates, metallic iron, and iron sulphide. We also studied the effects of iron and iron sulphide in aggregate grains. Iron sulphide inclusions within amorphous silicates that contain iron metal inclusions shows no strong differences in the optical properties of the grains. A mix of amorphous olivine- and pyroxene-type silicate broadens the silicate features. An amorphous carbon mantle with a thickness of 10 nm on the silicate grains leads to an increase in absorption on the short-wavelength side of the 10 $\mu$m silicate band. The assumption of amorphous olivine-type and pyroxene-type silicates and a 10 nm thick amorphous carbon mantle better matches the interstellar silicate band profiles. Including iron nano-particles leads to an increase in the mid-IR extinction, while up to 5 ppm of sulphur can be incorporated as Fe/FeS nano inclusions into silicate grains without leaving a significant trace of its presence.",1405.4208v1 2014-07-05,Fingering convection induced by atomic diffusion in stars: 3D numerical computations and applications to stellar models,"Iron-rich layers are known to form in the stellar subsurface through a combination of gravitational settling and radiative levitation. Their presence, nature and detailed structure can affect the excitation process of various stellar pulsation modes, and must therefore be modeled carefully in order to better interpret Kepler asteroseismic data. In this paper, we study the interplay between atomic diffusion and fingering convection in A-type stars, and its role in the establishment and evolution of iron accumulation layers. To do so, we use a combination of three-dimensional idealized numerical simulations of fingering convection, and one-dimensional realistic stellar models. Using the three-dimensional simulations, we first validate the mixing prescription for fingering convection recently proposed by Brown et al. (2013), and identify what system parameters (total mass of iron, iron diffusivity, thermal diffusivity, etc.) play a role in the overall evolution of the layer. We then implement the Brown et al. (2013) prescription in the Toulouse-Geneva Evolution code to study the evolution of the iron abundance profile beneath the stellar surface. We find, as first discussed by Th\'eado et al. (2009), that when the concurrent settling of helium is ignored, this accumulation rapidly causes an inversion in the mean molecular weight profile, which then drives fingering convection. The latter mixes iron with the surrounding material very efficiently, and the resulting iron layer is very weak. However, taking helium settling into account partially stabilizes the iron profile against fingering convection, and a large iron overabundance can accumulate. The opacity also increases significantly as a result, and in some cases ultimately triggers dynamical convection.",1407.1437v1 2021-06-27,Pulsating iron spectral features in the emission of X-ray pulsar V0332+53,"We present results of phase- and time-resolved study of iron spectral features in the emission of the Be/X-ray transient pulsar V0332+53, during its type II outburst in 2004 using archival RXTE/PCA data. Coherent pulsations of both fluorescent iron line at {\approx}6.4 keV and neutral iron K-edge at {\approx}7.1 keV have been detected throughout the entire outburst. The pulsating iron K-edge is reported for the first time for this object. Near the peak of the outburst, the 3-12 keV pulse profile shows two deep, F_max / F_min ~ 2, and narrow dips of nearly identical shape, separated by exactly {\Delta}{\phi}=0.5 in phase. The dip spectra are nearly identical to each other and very similar in shape to the spectra outside the dips. The iron K-edge peaks at the phase intervals corresponding to the dips, although its optical depth {\tau}_K ~ 0.05 is by far insufficient to explain the dips. The iron line shows pulsations with a complex pulse profile without any obvious correlation with the total flux or optical depth of the K-edge. Accounting for the component associated with reprocessing of the pulsar emission by the surface of the donor star and circumstellar material, we find a very high pulsation amplitude of the iron line flux, F_max / F_min ~ 10. We demonstrate that these properties of V0332+53 can not be explained by contemporary emission models for accreting X-ray pulsars and speculate about the origin of the observed iron spectral features.",2106.14261v1 2021-09-21,Iron Rain: measuring the occurrence rate and origin of small iron meteoroids at Earth,"We report results of a four-year survey using Electron Multiplied Charged Coupled Device (EMCCD) cameras recording 34761 two-station video meteor events complete to a limiting magnitude of +6. The survey goal was to characterize probable iron meteoroids. Using only physical properties of the meteor trajectories including early peaking light curves, short luminous trajectories, and high energies accumulated per area at beginning, we identified 1068 iron meteors. Our iron candidates are most abundant at slow speeds < 15 km/s, where they make up approximately 20% of the mm-sized meteoroid population. They are overwhelmingly on asteroidal orbits, and have particularly low orbital eccentricities and smaller semi-major axes when compared to non-irons between 10-20 km/s. Our iron population appears to be more numerous at fainter magnitudes, comprising 15% of slow (10-15 km/s) meteors with peak brightness of +3 with the fraction rising to 25% at +6 to +7, our survey limit. The iron orbits are most consistent with an asteroidal source and are in highly evolved orbits, suggesting long collisional lifetimes (107 years). Metal-rich chondrules (nodules) found in abundance in EL Chondrites are one possible source for this population. We also propose a possible technique using R-band colours to more robustly identify fainter iron meteors with very high confidence.",2109.10265v1 2010-11-21,Why the knee at 100 PeV could not be seen?,"It is shown that a ""second (iron) knee"" in cosmic ray spectrum expected at energy about 100 PeV could not probably be found there. The reason is very simple: the position of the ""iron knee"" depends on an answer to the questions: ""What do we see at 3-5 PeV? Is the knee seen at this energy associated with proton or iron primaries?""",1011.4695v1 2015-04-20,Iron-Based Superconductors: current status of materials and pairing mechanism,"Since the discovery of high Tc iron-based superconductors in early 2008, more than 15,000 papers have been published as a result of intensive research. This paper describes the current status of iron-based superconductors (IBSC) covering most up-to-date research progress along with the some background research, focusing on materials (bulk and thin film) and pairing mechanism.",1504.04919v1 2021-08-05,"The electron-phonon coupling constant and the Debye temperature in polyhydrides of thorium, hexadeuteride of yttrium, and metallic hydrogen phase III","Milestone experimental discovery of superconductivity above 200 K in highly-compressed sulphur hydride by Drozdov (Nature 525, 73 (2015)) sparked experimental and theoretical investigations of metallic hydrides. Since then, a dozen of superconducting binary and ternary polyhydrides have been discovered. For instance, there are three superconducting polyhydrides of thorium: Th4H15, ThH9, and ThH10 and four polyhydrides of yttrium: YH4, YH6, YH7, YH9. In addition to binary and ternary hydrogen-based metallic compounds, recently Eremets (arXiv:2109.11104) reported on the metallization of hydrogen, which exhibits a phase transition into metallic hydrogen phase III at P>330 GPa and T<200 K. Here we analyzed temperature-dependent resistance, R(T), in polyhydrides of thorium, hexadeuteride of yttrium and in hydrogen phase III and deduced the Debye temperature, $T$$_{\theta}$, and the electron-phonon coupling constant, $\lambda_{e-ph}$, for these conductors. We found that Th4H15 phase exhibits $\lambda_{e-ph}$ = 0.82-0.99 which is in a very good agreement with experimental value of $\lambda_{e-ph}$ = 0.84 deduced from heat capacity measurements (Miller, Phys. Rev. B 14, 2795 (1976)). For P63/mmc-ThH9 phase (P = 170 GPa) we deduced $\lambda_{e-ph}$(170 GPa) = 1.46, which is in a reasonable agreement with $\lambda_{e-ph}$ reported by Semenok (Materials Today 33, 36 (2020)). Deduced $\lambda_{e-ph}$(170 GPa) = 1.70 for Fm-3m-ThH10 is in remarkable agreement with first-principles calculated $\lambda_{e-ph}$(174 GPa)=1.75 (Semenok, Materials Today 33, 36 (2020)). Deduced $\lambda_{e-ph}$(172 GPa) = 1.90 for Im-3m-YD6 is also in excellent agreement with first-principles calculated $\lambda_{e-ph}$(165 GPa)=1.80 (Troyan, Advanced Materials 33, 2006832 (2021)). And finally, we deduced $T$$_{\theta}$(402 GPa) = 727 K for hydrogen phase III which implies that $\lambda_{e-ph}$(402 GPa)<1.7 in this metal.",2108.02610v4 2023-07-21,Ultra-fast yttrium hydride chemistry at high pressures via non-equilibrium states induced by x-ray free electron laser,"Controlling the formation and stoichiometric content of desired phases of materials has become a central interest for the study of a variety of fields, notably high temperature superconductivity under extreme pressures. The further possibility of accessing metastable states by initiating reactions by x-ray triggered mechanisms over ultra-short timescales is enabled with the development of x-ray free electron lasers (XFEL). Utilizing the exceptionally high brilliance x-ray pulses from the EuXFEL, we report the synthesis of a previously unobserved yttrium hydride under high pressure, along with non-stoichiometric changes in hydrogen content as probed at a repetition rate of 4.5\,MHz using time-resolved x-ray diffraction. Exploiting non-equilibrium pathways we synthesize and characterize a hydride with yttrium cations in an \textit{A}15 structure type at 125\,GPa, predicted using crystal structure searches, with a hydrogen content between 4.0--5.75 hydrogens per cation, that is enthalpically metastable on the convex hull. We demonstrate a tailored approach to changing hydrogen content using changes in x-ray fluence that is not accessible using conventional synthesis methods, and reveals a new paradigm in metastable chemical physics.",2307.11293v1 1999-06-08,Radiative Levitation in Hot Horizontal Branch Stars,"There is now considerable evidence that horizontal branch (HB) stars hotter than about 11,500 K experience an enormous enhancement of their photospheric iron abundance due to radiative levitation. In globular clusters, the photospheric iron abundance can reach values of [Fe/H] ~ +0.3, or up to two orders of magnitude higher than the cluster iron abundance. Model atmospheres which take into account the iron overabundance are needed for understanding the appearance of the HB in globular cluster color-magnitude diagrams (CMDs), for the derivation of accurate luminosities, gravities and masses, and for the ultraviolet spectral synthesis of old, metal-poor stellar populations.",9906123v1 1999-06-14,Iron line afterglows: general constraints,"The discovery of a powerful and transient iron line feature in the X-ray afterglow spectra of gamma-ray bursts would be a major breakthrough for understanding the nature of their progenitors, strongly suggesting the presence of a large, iron rich, mass in the vicinity of the burst event. Model-independent limits to the size and the mass of the the iron line emitting region are derived and discussed. We also discuss how these results can be used to constrain the amount of beaming or anisotropy of the burst emission.",9906234v1 1999-06-14,Iron line afterglows: how to produce them,"We discuss how a powerful iron line emission can be produced if ~1-5 iron rich solar masses are concentrated in the close vicinity of the burst. Recombination, thermal and fluorescent reflection are discussed. We find that recombination suffers the high Compton temperature of the plasma while the other two scenarios are not mutually exclusive and could account for the claimed iron line detected in two afterglows.",9906235v1 2003-01-31,Non-collinear magnetism in iron at high pressures,"Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or $\epsilon$-Fe), as well ferromagnetic bcc iron ($\alpha$-Fe). For hcp, a non-collinear, antiferromagnetic, spin configuration that minimizes unfavorable ferromagnetic nearest neighbor ordering is the lowest energy state and is more stable than non-magnetic $\epsilon$ iron up to about 75 GPa. Accounting for non-collinear magnetism yields better agreement with the experimental equation of state, in contrast to the non-magnetic equation of state, which is in poor agreement with experiment below 50 GPa.",0301615v1 2004-01-16,Ferromagnetism in Fe-doped SnO2 thin films,"Thin films grown by pulsed-laser deposition from targets of Sn0.95Fe0.05O2 are transparent ferromagnets with Curie temperature and spontaneous magnetization of 610 K and 2.2 Am2kg-1, respectively. The 57Fe Mossbauer spectra show the iron is all high-spin Fe3+ but the films are magnetically inhomogeneous on an atomic scale, with only 23 % of the iron ordering magnetically. The net ferromagnetic moment per ordered iron ion, 1.8 Bohr magnetons, is greater than for any simple iron oxide. Ferromagnetic coupling of ferric ions via an electron trapped in a bridging oxygen vacancy (F center) is proposed to explain the high Curie temperature",0401293v1 2008-07-29,The effect of pressure and spin on the isotopic composition of ferrous iron dissolved in periclase and silicate perovskite,"We perform density functional calculations of the equilibrium 57Fe/54Fe ratios for ferrous iron dissolved in periclase and MgSiO3 perovskite at the pressures and temperatures of the Earth's mantle. Pressure increases the partitioning of 57Fe into both phases by a factor of three from the Earth's surface to the core-mantle boundary. In ferropericlase, a large contribution to this increase comes from the electronic transition from high-spin to low-spin iron. Our calculations demonstrate that pressure-induced fractionation can play a major role in determining planetary iron-isotope composition.",0807.4742v1 2008-08-13,Coreless Terrestrial Exoplanets,"Differentiation in terrestrial planets is expected to include the formation of a metallic iron core. We predict the existence of terrestrial planets that have differentiated but have no metallic core--planets that are effectively a giant silicate mantle. We discuss two paths to forming a coreless terrestrial planet, whereby the oxidation state during planetary accretion and solidification will determine the size or existence of any metallic core. Under this hypothesis, any metallic iron in the bulk accreting material is oxidized by water, binding the iron in the form of iron oxide into the silicate minerals of the planetary mantle. The existence of such silicate planets has consequences for interpreting the compositions and interior density structures of exoplanets based on their mass and radius measurements.",0808.1908v1 2009-07-01,Role of soft-iron impellers on the mode selection in the VKS dynamo experiment,"A crucial point for the understanding of the von-K\'arm\'an-Sodium (VKS) dynamo experiment is the influence of soft-iron impellers. We present numerical simulations of a VKS-like dynamo with a localized permeability distribution that resembles the shape of the flow driving impellers. It is shown that the presence of soft-iron material essentially determines the dynamo process in the VKS experiment. % An axisymmetric magnetic field mode can be explained by the combined action of the soft-iron disk and a rather small $\alpha$-effect parametrizing the induction effects of unresolved small scale flow fluctuations.",0907.0123v2 2009-08-08,A Unified Description of Cuprate and Iron Arsenide Superconductors,"We propose a unified description of cuprate and iron-based superconductivity. Consistency with magnetic structure inferred from neutron scattering implies significant constraints on the symmetry of the pairing gap for the iron-based superconductors. We find that this unification requires the orbital pairing formfactors for the iron arsenides to differ fundamentally from those for cuprates at the microscopic level.",0908.1147v1 2009-08-27,A new 111 type iron pnictide superconductor LiFeP,"A new iron pnictide LiFeP superconductor was found. The compound crystallizes into a Cu2Sb structure containing an FeP layer showing superconductivity with maximum Tc of 6K. This is the first 111 type iron pnictide superconductor containing no arsenic. The new superconductor is featured with itinerant behavior at normal state that could helpful to understand the novel superconducting mechanism of iron pnictide compounds.",0908.4043v1 2009-08-29,Spin-Phonon Coupling in Iron Pnictide Superconductors,"The magnetic moment in the parent phase of the iron-pnictide superconductors varies with composition even when the nominal charge of iron is unchanged. We propose the spin-lattice coupling due to the magneto-volume effect as the primary origin of this effect, and formulate a Landau theory to describe the dependence of the moment to the Fe-As layer separation. We then compare the superconductive critical temperature of doped iron pnictides to the local moment predicted by the theory, and suggest that the spin-phonon coupling may play a role in the superconductivity of this compound.",0908.4361v1 2011-10-03,Calculated phonon spectra of paramagnetic iron at the alpha-gamma phase transition,"We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability of paramagnetic iron in the bcc phase. Our results for the structural phase stability and lattice dynamical properties of iron are in good agreement with experiment.",1110.0439v1 2013-07-22,Angle-resolved photoemission spectroscopy study on iron-based superconductors,"Angle-resolved photoemission spectroscopy (ARPES) has played an important role in determining the band structure and the superconducting gap structure of iron-based superconductors. Here from the ARPES perspective, we briefly review the main results from our group in the recent years on the iron-based superconductors and their parent compounds, and depict our current understanding on the antiferromagnetism and superconductivity in these materials.",1307.5754v3 2014-07-01,Explaining Mercury's Density through Magnetic Erosion,"In protoplanetary disks, dust grains rich in metallic iron can attract each other magnetically. If they are magnetized to values near saturation, the magnetically induced collision speeds are high enough to knock off the non-magnetized, loosely bound silicates. This process enriches the surviving portions of the dust grains in metallic iron, which further enhances the magnetically mediated collisions. The magnetic enhancement to the collisional cross-section between the iron rich dust results in rapid grain growth leading to planetesimal formation. While this process of knocking off silicates, which we term ""magnetic erosion"", occurs only in a very limited portion of a protoplanetary disk, it is a possible explanation for Mercury's disproportionately large iron core.",1407.0274v1 2015-05-22,Oxygen-annealing effects on superconductivity in polycrystalline Fe1-xTe1-ySey,"Superconductivity in anti-PbO-type iron chalcogenides Fe1-xTe1-ySey (x = 0, 0.1, y = 0.1 0.4) depends on the amount (x) of interstitial iron atoms located between the FeTe1-ySey layers. Non-superconducting samples of nominal Fe1.1Te1-ySey convert to superconductors with critical temperatures up to 14 K after annealing at 300{\deg}C in an oxygen atmosphere. The process is irreversible upon subsequent hydrogen annealing. Magnetic measurements are consistent with the formation of iron oxides suggesting that oxygen annealing preferably extracts interstitial iron from Fe1-xTe1-ySey which interfere with superconductivity.",1505.06066v1 2015-10-06,Iron emission line from the spiral galaxy M101,"Archival Suzaku data of the face-on spiral galaxy M101 were analyzed. An intense emission line at 6.72^{+0.10}_{-0.12} keV was detected in the central region. This line is identified with a K-line from He-like iron, which indicates the existence of a thin thermal plasma with a temperature of several keV. The iron line luminosity within the central 5 arcmin radius region is estimated to be (2-12)x10^{37} erg s^{-1}. The origin of the iron emission line is discussed.",1510.01483v1 2015-10-29,Effect of antimony substitution in iron pnictide compounds,"In the present study we have examined the effect of negative chemical pressure in iron pnictides. We have synthesized substitution series replacing arsenic by antimony in a number of 1111- and 122-iron arsenides and present their crystallographic and physical properties. The SDW transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O decreases with increasing antimony content, while the superconducting transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O$_{\mathrm{0.85}}$F$_{\mathrm{0.15}}$ initially increases with Sb substitution. 1111-compounds with samarium instead of lanthanum have a smaller unit cell volume. In these phases, no Sb solubility is observed. There is also no apparent solubility of antimony in the 122-iron arsenides.",1510.08665v1 2015-12-03,Non-LTE iron abundances in cool stars: The role of hydrogen collisions,"In the aim of determining accurate iron abundances in stars, this work is meant to empirically calibrate H-collision cross-sections with iron, where no quantum mechanical calculations have been published yet. Thus, a new iron model atom has been developed, which includes hydrogen collisions for excitation, ionization and charge transfer processes. We show that collisions with hydrogen leading to charge transfer are important for an accurate non-LTE modeling. We apply our calculations on several benchmark stars including the Sun, the metal-rich star {\alpha} Cen A and the metal-poor star HD140283.",1512.01118v1 2016-09-14,Iron Isotope Effect in SmFeAsO0.65 and SmFeAsO0.77H0.12 Superconductors: A Raman Study,"We report the inelastic light scattering studies on SmFeAsO0.65 and SmFeAsO0.77H0.12 with iron isotopes namely 54Fe and 57Fe. In both of these systems under investigation we observed a significant shift in the frequency of the phonon modes associated with the displacement of Fe atoms around ~ 200 cm-1. The observed shift in the Fe mode (B1g) for SmFeAsO0.65 is ~ 1.4 % and lower in case of SmFeAsO0.77H0.12, which is ~ 0.65 %, attributed to the lower percentage of isotopic substitution in case of SmFeAsO0.77H0.12. Our study reveals the significant iron isotope effect in these systems hinting towards the crucial role of electron-phonon coupling in the pairing mechanism of iron based superconductors.",1609.04183v1 2017-03-31,Longitudinal modes of spin fluctuations in iron-based superconductors,"Iron-based superconductors can exhibit different magnetic ground states and are in a critical magnetic region where frustrated magnetic interactions strongly compete with each other. Here we investigate the longitudinal modes of spin fluctuations in an unified effective magnetic model for iron-based superconductors. We focus on the collinear antiferromagnetic phase (CAF) and calculate the behavior of the longitudinal modes when different phase boundaries are approached. The results can help to determine the nature of the magnetic fluctuations in iron-based superconductors.",1703.10721v2 2018-01-10,The IRON Project: Photoionization of Fe ions,"The IRON Project, initiated in 1991, aims at two main objectives, i) study the characteristics of and calculate large-scale high accuracy data for atomic radiative and collisional processes, and ii) application in solving astrophysical problems. It focuses on the complex iron and iron-peak elements commonly observed in the spectra of astrophysical plasmas. The present report will illustrate the characteristics of the dominant atomic process of photoionization that have been established under the project and the preceding the Opacity Project and their importance in applications.",1801.05410v1 2018-06-08,Helium-iron compounds at terapascal pressures,"We investigate the binary phase diagram of helium and iron using first-principles calculations. We find that helium, which is a noble gas and inert at ambient conditions, forms stable crystalline compounds with iron at terapascal pressures. A FeHe compound becomes stable above 4 TPa, and a FeHe$_2$ compound above 12 TPa. Melting is investigated using molecular dynamics simulations, and a superionic phase with sublattice melting of the helium atoms is predicted. We discuss the implications of our predicted helium-iron phase diagram for interiors of giant (exo)planets and white dwarf stars.",1806.03017v1 2018-11-09,Topological quantum states of matter in iron-based superconductors: From concepts to material realization,"We review recent progress in the explorations of topological quantum states of matter in iron-based superconductors. In particular, we focus on the nontrivial topology existing in the band structures and superconducting states of iron's 3d orbitals. The basic concepts, models, materials and experimental results are reviewed. The natural integration between topology and high-temperature superconductivity in iron-based superconductors provides great opportunities to study topological superconductivity and Majorana modes at high temperature.",1811.03802v1 2019-02-24,Spin interactions and magnetic order in the iron oxychalcogenides BaFe2Q2O,"The ability to tune the iron chalcogenides BaFe2Q3 from Mott insulators, to metals and then superconductors with applied pressure has renewed interest in low-dimensional iron chalcogenides and oxychalcogenides. We report here a combined experimental and theoretical study on the iron oxychalcogenides BaFe2Q2O (Q=S, Se) and show that their magnetic behaviour results from nearest-neighbour magnetic exchange interactions via oxide and selenide anions of similar strength, with properties consistent with more localised electronic structures than those of BaFe2Q3 systems.",1902.09035v2 2021-11-04,Sequence of superconducting states in field cooled $FeCr_2S_4$,"In the present article we discuss theoretically the emergence of superconductivity in field cooled $FeCr_2S_4$. The chromium electrons form a triplet $t_{2g}$ states and due to antiferromagnetic exchange with the iron spins have Zeeman splitting. Applied, during preparation, magnetic field along the moment of iron ions, successively compensates the Zeeman splittings. The chromium electrons with zero Zeeman energy form Cooper pairs induced by iron magnons. In that way, we predict theoretically the existence of sequence of superconducting states in field cooled $FeCr_2S_4$. Actually there are three different superconductors prepared applying, during preparation, different magnetic fields. In these compounds superconductivity coexist with the saturated magnetism of iron ions.",2111.02765v1 2023-07-03,Cosmic abundance of iron,"I explore a possibility to estimate an upper limit of the current iron abundance of the barion matter. The upper limit is determined by the minimal iron abundance, at which the gamma-ray background, produced by the decay of $^{56}$Ni synthesised in the Universe to date, contradicts the observational MeV gamma-ray background. I calculate the gamma-ray background from SNe~Ia and SNe~II with the gamma-ray scattering and absorption in supernova envelope. It is shown that the model background does not contradict the observed MeV background, if the present day iron abundance of the barion matter is less than 15\% of the solar abundance.",2307.00944v1 2014-08-19,Soft chemical control of superconductivity in lithium iron selenide hydroxides Li1-xFex(OH)Fe1-ySe,"Hydrothermal synthesis is described of layered lithium iron selenide hydroxides Li1-xFex(OH)Fe1-ySe (x ~ 0.2; 0.02 < y < 0.15) with a wide range of iron site vacancy concentrations in the iron selenide layers. This iron vacancy concentration is revealed as the only significant compositional variable and as the key parameter controlling the crystal structure and the electronic properties. Single crystal X-ray diffraction, neutron powder diffraction and X-ray absorption spectroscopy measurements are used to demonstrate that superconductivity at temperatures as high as 40 K is observed in the hydrothermally synthesised samples when the iron vacancy concentration is low (y < 0.05) and when the iron oxidation state is reduced slightly below +2, while samples with a higher vacancy concentration and a correspondingly higher iron oxidation state are not superconducting. The importance of combining a low iron oxidation state with a low vacancy concentration in the iron selenide layers is emphasised by the demonstration that reductive post-synthetic lithiation of the samples turns on superconductivity with critical temperatures exceeding 40 K by displacing iron atoms from the Li1-xFex(OH) reservoir layer to fill vacancies in the selenide layer",1408.4350v2 1997-02-04,Roles of SNIa and SNII in ICM Enrichment,"Based on ASCA observations Mushotzky et al. (1996, ApJ 466, 686) have recently derived the relative-abundance ratios of $\alpha$-elements to iron, [\alpha/Fe] \simeq 0.2-0.3$, for four rich clusters, and have suggested that the origin of metals in an intra-cluster medium (ICM) is not a type-Ia supernovae (SNIa), but a type-II supernovae (SNII). However, these authors used the solar photospheric iron abundance for ASCA data reduction, while the meteoritic iron abundance is usually adopted in chemical-evolution studies. It is true that although the photospheric and meteoritic solar abundances are consistent for most of the elements, a serious discrepancy is known to exist for iron; indeed, the photospheric abundance of iron is $N_{Fe}/N_H = 4.68 10^{-5}$ by number, while the meteoritic value is $3.24 10^{-5}$. The argument concerning the relative roles of SNIa and SNII in ICM enrichment is quite sensitive to the precise values of [\alpha/Fe], and one should use an identical solar iron abundance in data reduction as well as in theoretical arguments. We therefore adopt the meteoritic iron abundance, which is consistent with chemical-evolution studies, and shift Mushotzky et al.'s ASCA data by $\Delta[\alpha/Fe] \simeq -0.16$ dex. By comparing the corrected [\alpha/Fe] values with theoretical nucleosynthesis prescriptions of SNIa and SNII, we reach a conclusion that an SNIa iron contribution of 50% or higher in the ICM enrichment could not be ruled out, and might indeed be favoured based on the ASCA spectra.",9702036v1 2008-08-09,Iron Behaving Badly: Inappropriate Iron Chelation as a Major Contributor to the Aetiology of Vascular and Other Progressive Inflammatory and Degenerative Diseases,"The production of peroxide and superoxide is an inevitable consequence of aerobic metabolism, and while these particular ""reactive oxygen species"" (ROSs) can exhibit a number of biological effects, they are not of themselves excessively reactive and thus they are not especially damaging at physiological concentrations. However, their reactions with poorly liganded iron species can lead to the catalytic production of the very reactive and dangerous hydroxyl radical, which is exceptionally damaging, and a major cause of chronic inflammation. We review the considerable and wide-ranging evidence for the involvement of this combination of (su)peroxide and poorly liganded iron in a large number of physiological and indeed pathological processes and inflammatory disorders, especially those involving the progressive degradation of cellular and organismal performance. These diseases share a great many similarities and thus might be considered to have a common cause (i.e. iron-catalysed free radical and especially hydroxyl radical generation). The studies reviewed include those focused on a series of cardiovascular, metabolic and neurological diseases, where iron can be found at the sites of plaques and lesions, as well as studies showing the significance of iron to aging and longevity. The effective chelation of iron by natural or synthetic ligands is thus of major physiological (and potentially therapeutic) importance. As systems properties, we need to recognise that physiological observables have multiple molecular causes, and studying them in isolation leads to inconsistent patterns of apparent causality when it is the simultaneous combination of multiple factors that is responsible. This explains, for instance, the decidedly mixed effects of antioxidants that have been observed, etc...",0808.1371v1 2008-11-24,The optical/X-ray connection: ICM iron content and galaxy optical luminosity in 20 galaxy clusters,"X-ray observations of galaxy clusters have shown that the intra-cluster gas has iron abundances of about one third of the solar value. These observations also show that part (if not all) of the intra-cluster gas metals were produced within the member galaxies. We present a systematic analysis of 20 galaxy clusters to explore the connection between the iron mass and the total luminosity of early-type and late-type galaxies, and of the brightest cluster galaxies (BCGs). From our results, the intra-cluster medium (ICM) iron mass seems to correlate better with the luminosity of the BCGs than with that of the red and blue galaxy populations. As the BCGs cannot produce alone the observed amount of iron, we suggest that ram-pressure plus tidal stripping act together to enhance, at the same time, the BCG luminosities and the iron mass in the ICM. Through the analysis of the iron yield, we have also estimated that SN Ia are responsible for more than 50% of the total iron in the ICM. This result corroborates the fact that ram-pressure contributes to the gas removal from galaxies to the inta-cluster medium, being very efficient for clusters in the temperature range 2 < kT (keV)< 10",0811.3936v1 2009-10-25,Pair-breaking in iron-pnictides,"The puzzling features of the slopes of the upper critical field at the critical temperature $T_c$, $H^\prime_{c2}(T_c)\propto T_c$, and of the specific heat jump $\Delta C\propto T_c^3$ of iron-pnictides are interpreted as caused by a strong pair-breaking.",0910.4728v1 2009-12-28,Iron pnictide superconductors: Electrons on the verge,"An optical analysis reveals that the electronic correlations in the `parent' compounds of the iron pnictide superconductors are sufficiently strong to significantly impede the mobility of the electrons.",0912.4989v1 2010-05-19,Rusty old stars: a source of the missing interstellar iron?,"Iron, the Universe's most abundant refractory element, is highly depleted in both circumstellar and interstellar environments, meaning it exists in solid form. The nature of this solid is unknown. In this Letter, we provide evidence that metallic iron grains are present around oxygen-rich AGB stars, where it is observationally manifest as a featureless mid-infrared excess. This identification is made using Spitzer Space Telescope observations of evolved globular cluster stars, where iron dust production appears ubiquitous and in some cases can be modelled as the only observed dust product. In this context, FeO is examined as the likely carrier for the 20-micron feature observed in some of these stars. Metallic iron appears to be an important part of the dust condensation sequence at low metallicity, and subsequently plays an influential role in the interstellar medium. We explore the stellar metallicities and luminosities at which iron formation is observed, and how the presence of iron affects the outflow and its chemistry. The conditions under which iron can provide sufficient opacity to drive a wind remain unclear.",1005.3489v1 2010-10-14,"Bipolaron Model of the Superconductivity of an Iron-Based Layered Compound LnO_{1-x}F_xFePn (Ln =La, Sm, Nd, Pr, Ce, Pn=P, As)","A bipolaron model is proposed as a superconductivity mechanism for iron-based superconductivity. The results are consistent with the experiments.",1010.3026v1 2012-02-19,Spin fluctuations and superconductivity in powders of Fe_1+xTe_0.7Se_0.3 as a function of interstitial iron concentration,"Using neutron inelastic scattering, we investigate the role of interstitial iron on the low-energy spin fluctuations in powder samples of Fe_{1+x}Te_{0.7}Se_{0.3}. We demonstrate how combining the principle of detailed balance along with measurements at several temperatures allows us to subtract both temperature-independent and phonon backgrounds from S(Q,\omega) to obtain purely magnetic scattering. For small values of interstitial iron (x=0.009(3)), the sample is superconducting (T_{c}=14 K) and displays a spin gap of 7 meV peaked in momentum at wave vector q_{0}=(\pi,\pi) consistent with single crystal results. On populating the interstitial iron sites, the superconducting volume fraction decreases and we observe a filling in of the low-energy magnetic fluctuations and a decrease of the characteristic wave vector of the magnetic fluctuations. For large concentrations of interstitial iron (x=0.048(2)) where the superconducting volume fraction is minimal, we observe the presence of gapless spin fluctuations at a wave vector of q_{0}=(\pi,0). We estimate the absolute total moment for the various samples and find that the amount of interstitial iron does not change the total magnetic spectral weight significantly, but rather has the effect of shifting the spectral weight in Q and energy. These results show that the superconducting and magnetic properties can be tuned by doping small amounts of iron and are suggestive that interstitial iron concentration is also a controlling dopant in the Fe_{1+x}Te_{1-y}Se_{y} phase diagram in addition to the Te/Se ratio.",1202.4152v1 2016-05-06,Iron: A Key Element for Understanding the Origin and Evolution of Interstellar Dust,"The origin and depletion of iron differ from all other abundant refractory elements that make up the composition of the interstellar dust. Iron is primarily synthesized in Type Ia supernovae (SNe Ia) and in core collapse supernovae (CCSN), and is present in the outflows from AGB stars. Only the latter two are observed to be sources of interstellar dust, since searches for dust in SN~Ia have provided strong evidence for the absence of any significant mass of dust in their ejecta. Consequently, more than 65% of the iron is injected into the ISM in gaseous form. Yet, ultraviolet and X-ray observations along many lines of sight in the ISM show that iron is severely depleted in the gas phase compared to expected solar abundances. The missing iron, comprising about 90% of the total, is believed to be locked up in interstellar dust. This suggests that most of the missing iron must have precipitated from the ISM gas by cold accretion onto preexisting silicate, carbon, or composite grains. Iron is thus the only element that requires most of its growth to occur outside the traditional stellar condensation sources. This is a robust statement that does not depend on our evolving understanding of the dust destruction efficiency in the ISM. Reconciling the physical, optical, and chemical properties of such composite grains with their many observational manifestations is a major challenge for understanding the nature and origin of interstellar dust.",1605.01957v1 2018-06-25,Fermi surface pockets in electron-doped iron superconductor by Lifshitz transition,"The Fermi surface pockets that lie at the corner of the two-iron Brillouin zone in heavily electron-doped iron selenide superconductors are accounted for by an extended Hubbard model over the square lattice of iron atoms that includes the principal 3d xz and 3d yz orbitals. At half filling, and in the absence of intra-orbital next-nearest neighbor hopping, perfect nesting between electron-type and hole-type Fermi surfaces at the the center and at the corner of the one-iron Brillouin zone is revealed. It results in hidden magnetic order in the presence of magnetic frustration within mean field theory. An Eliashberg-type calculation that includes spin-fluctuation exchange finds that the Fermi surfaces undergo a Lifshitz transition to electron/hole Fermi surface pockets centered at the corner of the two-iron Brillouin zone as on-site repulsion grows strong. In agreement with angle-resolved photoemission spectroscopy on iron selenide high-temperature superconductors, only the two electron-type Fermi surface pockets remain after a rigid shift in energy of the renormalized band structure by strong enough electron doping. At the limit of strong on-site repulsion, a spin-wave analysis of the hidden-magnetic-order state finds a ""floating ring"" of low-energy spin excitations centered at the checkerboard wavenumber (pi,pi). This prediction compares favorably with recent observations of low-energy spin resonances around (pi,pi) in intercalated iron selenide by inelastic neutron scattering.",1806.09322v2 2021-10-22,Thermal conductivity of oxide scale and its components in the range from 0 C to 1300 C: Generalized estimates with account for movability of phase transitions,"The data of different authors on the thermal conductivity of wustite Fe1-xO, magnetite F3O4, hematite Fe2O3 and pure iron are systematized. The generalized values are described by piecewise smooth functions containing as varying parameters the temperatures of magnetiv and polymorphic (for iron) transformations as well as the thermodynamic stability boundary (for wustite). At polymorphic transformation a finite break of the thermal conductivity function is envisaged, at othet critical points only a break of its temperature derivative is acceptable. The proposed formulas are presented in two forms: the general form that allow varying the values of critical temperatures and the particular form corresponding to their basic values: the boundary of thermodynamic stability of wustite - 570 C, the Curie points of magnetite - 575 C, hematite - 677 C, iron - 770 C and polymorphic transformation temperature of iron - 912 C. To calculate the thermal conductivity of oxide scale as a whole, it is proposed to take into account separately metallic iron and composite matrix of iron oxides. Model computations using the proposed formulas shows that the true thermal conductivity of oxide scale (without pores), depending on the temperature may be from 3 to 6 W / (m K) in the absence of metallic iron and up to 15 W / (m K) if free iron is released in the eutectoid decay of wustite. The effective thermal conductivity of oxide scale, taking into account its real porosity, may be lower by 15-35%. The obtained dependencies are recommended for use in mathematical simulation of production and processing of steel products in the presence of oxide scale on their surface.",2110.11632v1 2021-10-28,A Quantitative Analysis of the Ignition Characteristics of Fine Iron Particles,"Ignition of iron particles in an oxidizing environment marks the onset of a self-sustained combustion. The objective of the current study is to quantitatively examine the ignition characteristics of fine iron particles governed by the kinetics of solid-phase iron oxidation. The oxidation rates are inversely proportional to the thickness of the oxide layer and calibrated using the experimentally measured growth of iron-oxide layers over time. Steady-state and unsteady analysis have been performed to probe the dependence of the critical gas temperature required to trigger a thermal runaway (namely, the ignition temperature $T_\mathrm{ign}$) on particle size, initial thickness of oxide layer, inert gas species, radiative heat loss, and the collective heating effect in a suspension of particles. Both analyses indicate that $T_\mathrm{ign}$ depends on $\delta_0$, i.e., the ratio between the initial oxide layer thickness and particle size, regardless of the absolute size of the particle. The unsteady analysis predicts that, for $\delta_0 \lesssim 0.003$, $T_\mathrm{ign}$ becomes independent of $\delta_0$. Under standard conditions in air, $T_\mathrm{ign}$ is approximately 1080 K for any particle size greater than 5 microns. Radiative heat loss has a minor effect on $T_\mathrm{ign}$. The collective effect of a suspension of iron particles in reducing $T_\mathrm{ign}$ is demonstrated. The transition behavior between kinetic-controlled and external-diffusion-controlled combustion regimes of an ignited iron particle is systematically examined. The influences of initial oxide-layer thickness and particle temperature on the ignition delay time, $\tau_\mathrm{ign}$, of iron particles are parametrically probed. A $d^2$-law scaling between $\tau_\mathrm{ign}$ and particle size is identified.",2110.15461v2 1996-08-23,NMR in copper-Oxide Metals,"The anomalous part of the NMR relaxation rate of coppernuclei in the normal state of copper-oxide metals is calculated using the orbital magnetic parts of the fluctuations derived in a recent theory to explain the long wavelength transport anomalies. Oxygen and Yttrium reside on lattice sites at which the anomalous contribution is absent at all hole densities. The frequency, momentum dependence, and the form-factor of the fluctuations is predicted,which is verifiable by inelastic neutron scattering experiments.",9608109v1 1996-12-09,From microscopic description to statistical mechanics of Cu-O chain fragments in the high-Tc superconductors REBa_2Cu_3O_{6+x},"The oxygen deficient CuO_x planes of the high-Tc superconductors REBa_2Cu_3O_{6+x} (RE denotes a rare-earth atom or yttrium) are studied. Starting from the Emery model for the Cu-O chain fragments, an extended ASYNNNI model is proposed to describe the statistical mechanics of the CuO_x planes. The model is analysed by using Monte Carlo techniques, computing especially the charge transfer to the CuO$_2$ planes regulating the high-Tc superconductivity, and the concentration of differently coordinated Cu ions.Results are compared to experimental data for various RE cases.",9612072v1 1998-09-03,Fermi Surface as the Driving Mechanism for Helical Antiferromagnetic Ordering in Gd-Y Alloys,"The first direct experimental evidence for the Fermi surface (FS) driving the helical antiferromagnetic ordering in a gadolinium-yttrium alloy is reported. The presence of a FS sheet capable of nesting is revealed, and the nesting vector associated with the sheet is found to be in excellent agreement with the periodicity of the helical ordering.",9809063v1 1999-03-04,Parameter-free expression for superconducting Tc in cuprates,"A parameter-free expression for the superconducting critical temperature of layered cuprates is derived which allows us to express Tc in terms of experimentally measured parameters. It yields Tc values observed in about 30 lanthanum, yttrium and mercury-based samples for different levels of doping. This remarkable agreement with the experiment as well as the unusual critical behaviour and the normal-state gap indicate that many cuprates are close to the Bose-Einstein condensation regime.",9903071v1 1999-06-11,Induced spin polarisation in a ferromagnetic gadolinium-yttrium alloy,"The first direct evidence of an induced spin moment in Gd(62.4)Y(37.6) is presented. This additional moment, of 0.16 +/- 0.03 Bohr magnetons, arises from polarisation of Y electrons in the alloy. The moment was detected in a Compton scattering experiment via the measurement of the one dimensional projection of the momentum space electron spin density in Gd and in the alloy. The result is consistent with theoretical predictions calculated using the LMTO method within the local spin density approximation.",9906171v1 2001-06-18,"Disorder induced hexagonal-orthorhombic transition in (Y,Gd)MnO3","We show that the transition in AMnO3 from the orthorhombic perovskite phase to the hexagonal phase is promoted by inducing disorder on the A-site. The gap between the orthorhombic and the hexagonal phase is widened for disordered, mixed yttrium-gadolinium manganite samples. At the cost of the orthorhombic phase a two phase region emerges. The phase separation exhibits very unusual thermodynamical behaviour. We also show that high pressure synthesis favours the orthorhombic phase. YMnO3 is formed in the orthorhombic phase at 15 kbar.",0106335v1 2002-02-09,Fermi surface of yttrium,"Electron-positron momentum densities in Y, reconstructed from two-dimensional angular correlation of annihilation radiation spectra, are compared with the theoretical predictions of fully-relativistic augmented plane-wave calculations. Knowledge of the theoretical densities and of the effects on them of certain symmetry selection rules has allowed us to separate two hole Fermi sur-faces in the third and fourth bands and to establish some Fermi momenta for each of them.",0202157v2 2002-07-29,Electronic Structure of the YH3 Phase from Angle-Resolved Photoemission Spectroscopy,"Yttrium can be loaded with hydrogen up to high concentrations causing dramatic structural and electronic changes of the host lattice. We report on angle-resolved photoemission experiments of the Y trihydride phase. Most importantly, we find the absence of metal d-bands at the Fermi level and a set of flat, H-induced bands located at much higher binding energy than predicted, indicating an increased electron affinity at H sites.",0207680v1 2002-09-10,On the reliability of various enhancement theories for a description of electron-positron densities in metals,"Four theoretical approaches to calculate momentum densities of electron-positron annihilation pairs (MDAP) in crystalline solids are confronted with 3D densities reconstructed from two-dimensional angular correlation (2D-ACAR) data for copper, chromium, and yttrium. It is shown that the Bloch-modified ladder theory, in contrast to other approaches, is able to describe - at least qualitatively - the MDAP profiles for all metals investigated.",0209235v1 2004-01-28,Effects of Substituting Calcium for Yttrium on the Superconducting Properties of YBa2Cu3Oz Bulk Samples,"We report systematic studies of AC magnetic susceptibility and transport properties of Y(1-x)Ca(x)Ba2Cu3Oz bulk samples with 0\leq x\leq 0.4. Single phase materials, reduction of carrier concentration and decrease of Tc to 85 K were obtained at doping levels up to 20%. For Y0.7Ca0.3Ba2Cu3Oz sample the improvement of grains boundary transport and screening capabilities has been observed as a result of the optimal ratio between carrier concentration and impurity phase BaCuO2 presence. The appearence of bulk pinning and nonlinear effects starting at the highest temperature were detected also.",0401584v1 2011-11-10,High-Temperature Superconductivity Mechanism for Cuprates,"Egorov and March plotted the product of resistivity and the copper spin-lattice relaxation time vs. temperature for yttrium barium copper oxide finding a minimum at temperature T greater than the superconducting temperature, heralding an electronic phase change which can be interpreted as the formation of a ""preformed"" pair. In this context we propose a superconducting mechanism based on the notion that the preformed pair is a ""soft"" boson (a localized, different type of Cooper pair) which dissociates above the classical BKT transition temperature, resulting in two circular charge density waves. The model suggests explanations for considerable experimental work and offers a physical explanation for the basis of the Uemura-Homes law.",1111.2560v1 2013-09-04,Unexpected colloid-like supernatant from liquid-phase ball-milling graphite using miscible solutions as solvents: a failure analysis,"Ball-milling graphite was conducted in miscible solutions with the purpose to exfoliate graphene. Colloid-like stable supernatants were unexpectedly obtained. Followed were the characterizations with Scanning electronic microscopy, Thermogravimetric analysis, X-ray diffraction and Elemental dispersive X-ray mapping to recognize them. As a result, strongly against the initial judgments, the components of colloid were mainly impurities of mixture of zirconia, silicate and yttrium oxide, other than nano-graphite.",1309.1056v2 2014-11-25,Simulation study of negative thermal expansion in yttrium tungstate Y2W3O12,"A simulation study of negative thermal expansion in Y2W3O12 was carried out using calculations of phonon dispersion curves through the application of density functional perturbation theory. The mode eigenvectors were mapped onto flexibility models and results compared with calculations of the mode Gruneisen parameters. It was found that many lower-frequency phonons contribute to negative thermal expansion in Y2W3O12, all of which can be described in terms of rotations of effectively rigid WO4 tetrahedra and Y-O rods. The results are strikingly different from previous phonon studies of higher-symmetry materials that show negative thermal expansion.",1411.7071v1 2015-11-21,Theoretical description of slow non-monotonic relaxation processes in Al-Y melts,"The slow non-monotonic relaxation processes, which have been recently fixed in Al-Y melts, are described theoretically. The theoretical description is based on the Cahn-Hilliard theory and functional methods of non-equilibrium dynamics. In terms of the suggested approach the reasons of this relaxation kinetics are non-linearity of the system near to the liquidus line, which sharply increases with Y concentration, and strong initial heterogeneity of the melt on the concentration of Y atoms. According to our analysis one can conclude that the non-monotonic temporal dependence of viscosity is caused by the Ostwald ripening processes in the rich in yttrium areas.",1511.06908v1 2016-11-17,Thin Film growth of Solid State materials,"Magnetron sputtering has also been used to deposit thin films of some materials and it has significant technological importance. A modeling on deposition of epitaxial thin films of Yttrium Stabilized Zirconia (YSZ) was done the diffusion of adatom on the surface were studies. There exists a strong interaction of ions formed in the plasma during the sputtering process. Cu thin films were deposited on Si. Nanocomposite thin film of SiCN showed dendritic growth.",1611.07926v1 2018-08-23,"Bond relaxation, electronic and magnetic behavior of 2D metals structures Y on Li(110) surface","We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation and density-functional theory(DFT). We found that adsorption Y atoms on Li(110) surfaces form two-dimensional (2D) geometric structures of hexagon, nonagon, solid hexagonal, quadrangle and triangle. The consistent with the magnetic moment are 6.66{\mu}B, 5.54{\mu}B, 0.28{\mu}B, 1.04{\mu}B, 2.81{\mu}B, respectively. In addition, this work could pave the way for design new 2D metals electronic and magnetic properties.",1809.03407v1 2019-01-16,Structure and dielectric properties of Ba$_2$Cu$_x$Y$_{1-x}$TaO$_{6-y}$ double perovskite,"In this paper, we reported the effect of Cu doping on the structural and dielectric properties of Ba$_2$Y$_{1-x}$Cu$_x$TaO$_{6-y}$ (0.00 $\leq$ x $\leq$ 0.50) ceramics at room temperature. The Copper for Yttrium substitution reduces the sintering temperature and leads to structural changes in the Ba$_2$YTaO$_6$ rock-salt crystalline structure. Dielectric permittivity and complex impedance spectroscopy measurements suggested enhancement of the dielectric constant and occurrence of interfacial Maxwell-Wagner polarization.",1901.05548v2 2020-03-23,Chemical characterization of dislocation in yttria-stabilized zirconia,"This study demonstrates that a space charge layer is formed on dislocation during mechanical deformation at elevated temperature. High density of dislocation lines is generated in bulk single crystalline Y2O3 stabilized ZrO2 (YSZ) by uniaxial compression at elevated temperature. The creation of dislocation is proven with transmission electron microscopy (TEM). Then, energy-dispersive X-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS) are used to explore the changes in the composition on and away from the dislocation lines. Also, it is clarified that segregation of dopant atoms (yttrium) on the dislocation line is induced by high temperature annealing. Comparing the compositional variations with and without thermal annealing, we study the space charge layer formed on dislocation lines in a doped system.",2003.10093v1 2020-04-02,Optical spectra of rare-earth nickelates,"Based on the electronic band structure obtained from first principles DFT calculations, the opticalspectra of yttrium and neodymium nickelates are computed. We show that the results are in fairagreement with available experimental data. We clarify the electronic transitions at the origin of thefirst two peaks, highlighting the important role of transitions from t2g states neglected in previousmodels. We discuss the evolution of the optical spectra from small to large rare-earth cations andrelate the changes to the electronic band structure.",2004.01100v1 2022-06-25,High cooperativity coupling of rare earth spins with planar superconducting resonator,"Interfacing superconducting microwave resonator with rare earth doped crystals presents a promising hybrid quantum system for applications including spin-assisted transducers and memories. The coupling strength between spins of rare earth ions and the microwave photons is characterized by the cooperativity. Here we report an ultra-high cooperativity $C \sim$ 650 between rare earth spins and a planar superconducting microwave resonator that features a highly uniform magnetic field for harnessing the strong anisotropic coupling strength of erbium doped yttrium orthosilicate. This cooperativity rivals that from a bulk dielectric resonator and paves a path for efficiently coupling of spins with microwave photons on an integrated platform.",2206.12646v1 2022-12-27,Study on the hydrogen behavior in Y and Co doped barium-zirconate,"Hydrogen release behavior from mixed-perovskite oxide, yttrium and cobalt doped barium-zirconate, BaZr$_{0.955}$Y$_{0.03}$Co$_{0.015}$O$_{3-a}$ (BZYC) exposed to D$_2$ or D$_2$O atmosphere was studied by thermal desorption spectroscopy (TDS) detecting deuterium gas (D$_2$) and heavy water vapor (D$_2$O) separately. The release of hydrogen appeared at around 1000 K. Hydrogen solubility was higher in the BZYC sample exposed to the D$_2$O.",2301.02522v1 2024-02-04,A critical assessment of the dislocation-driven model for superplasticity in yttria tetragonal zirconia polycrystals,"In this paper, the origin of the threshold stress in pure 3 mol %-yttria tetragonal zirconia polycrystals (YTZP) is analysed in detail. At this regard, the two explanations reported in literature are discussed thoroughly. One of them invokes dislocation activity as the origin for such quantity, whereas the other one is based upon yttrium segregation at the grain boundaries. Crirical assessment for both of them is performed, and it has allowed concluding that the dislocation activity observed by Morita and Hiraga is just an artifact created during sample preparation. Thence, segregation at the grain boundaries seems to be the only mechanism accounting for a threshold stress and its temperature and grain size dependence.",2402.04015v1 2000-06-23,ORFEUS II echelle spectra: On the influence of iron-group line blanketing in the Far-UV spectral range of hot subdwarfs,"We present an analysis of the subdwarf O star Feige 67 with a fully metal-line blanketed NLTE model atmosphere based on high-resolution Far-UV (912-2000 A) and Near-UV (2000-3400 A) spectra from new ORFEUS II echelle observations and the IUE final archive. The Far-UV spectra are heavily blanketed by iron and nickel lines, preventing the detection of the stellar continuum and complicating the abundance analysis. Important points concerning the account for blanketing by millions of iron-group lines and for an accurate determination of iron and nickel abundances are discussed: The usage of all theoretically and experimentally known line opacities of the iron-group elements, the consideration of a broad wavelength range for a reliable determination of the stellar continuum flux, and the role of interstellar reddening. This paper outlines a basic approach for spectral analysis of future high-resolution Far-UV spectra of hot compact stars. During this study we re-analyzed the iron and nickel abundance of our exemplary object Feige 67 and confirm their extraordinarily amount.",0006341v1 2002-05-04,"Iron abundance in hot hydrogen-deficient central stars and white dwarfs from FUSE, HST, and IUE spectroscopy","We present a first systematic investigation of the iron abundance in very hot (Teff>50,000K) hydrogen-deficient post-AGB stars. Our sample comprises 16 PG1159 stars and four DO white dwarfs. We use recent FUSE observations as well as HST and IUE archival data to perform spectral analyses with line blanketed NLTE model atmospheres. Iron is not detected in any PG1159 star. In most cases this is compatible with a solar iron abundance due to limited quality of HST and IUE data, although the tendency to an iron underabundance may be recognized. However, the absence of iron lines in excellent FUSE spectra suggests an underabundance by at least 1 dex in two objects (K1-16 NGC 7094). A similar result has been reported recently in the [WC]-PG1159 transition object Abell 78 (Werner et al. 2002). We discuss dust fractionation and s-process neutron-captures as possible origins. We also announce the first identification of sulfur in PG1159 stars.",0205058v1 2001-10-18,Suppression of Tc in the (Y0.9Ca0.1)Ba2Cu4-xFexO8 system,"In this paper, the effects produced by the iron substitutions in the (Y0.9Ca0.1)Ba2Cu4-xFexO8 system on the superconducting and structural properties are studied. The Rietveld fit of the crystal structure and Mossbauer spectroscopy results of (Y0.9Ca0.1)Ba2Cu4-xFexO8 samples indicate that, the iron atoms occupy the Cu(1) sites of the (Cu-O)2 double chain in fivefold coordination at low iron concentrations. Besides at high iron concentrations the iron atoms occupy the Cu(1) sites of single Cu-O chainss and Cu(2) sites in the CuO2 planes of the (Y0.9Ca0.1)Ba2Cu4-xFexO8 phase with structural defects. Simultaneouly, as iron concentration increases, a faster decrease of Tc is observed in this material comapred with the YBa2Cu3-xFexO7-y system. According to the charge transfer model proposed for YBa2Cu4O8 under pressure, the decrease in the Cu(1)-O(4) bond length in parallel to the increase in the Cu(2)-O(4) bond length may affect the charge transfer mechanism leading to the suppression of Tc.",0110388v1 1995-06-30,Structural and Magnetic Properties of Trigonal Iron,"First principles calculations of the electronic structure of trigonal iron were performed using density function theory. The results are used to predict lattice spacings, magnetic moments and elastic properties; these are in good agreement with experiment for both the bcc and fcc structures. We find however, that in extracting these quantities great care must be taken in interpreting numerical fits to the calculated total energies. In addition, the results for bulk iron give insight into the properties of thin iron films. Thin films grown on substrates with mismatched lattice constants often have non-cubic symmetry. If they are thicker than a few monolayers their electronic structure is similar to a bulk material with an appropriately distorted geometry, as in our trigonal calculations. We recast our bulk results in terms of an iron film grown on the (111) surface of an fcc substrate, and find the predicted strain energies and moments accurately reflect the trends for iron growth on a variety of substrates.",9506009v1 2007-12-05,Vertical stratification of iron abundance in atmospheres of blue horizontal-branch stars,"The observed slow rotation and abundance peculiarities of certain blue horizontal branch (BHB) stars suggests that atomic diffusion can be important in their stellar atmospheres and can lead to vertical abundance stratification of chemical species in the atmosphere. To verify this hypothesis, we have undertaken an abundance stratification analysis in the atmospheres of six BHB stars, based on recently acquired McDonald-CE spectra. Our numerical simulations show that the iron abundance is vertically stratified in the atmospheres of two stars in M15: B267 and B279. One star WF2-2541 in M13 also appears to have vertically stratified iron abundance, while for WF4-3085 the signatures of iron stratification are less convincing. In all cases the iron abundances increase towards the lower atmosphere. The other two stars in our sample, WF4-3485 and B84, do not show any significant variation of iron with atmospheric depth. Our results support the idea that atomic diffusion dominates other hydrodynamic processes in the atmospheres of BHB stars.",0712.0809v1 2009-09-03,A Mechanism for the Oxygen and Iron Bimodal Radial Distribution Formation in the Disc of our Galaxy,"Recently it has been proposed that there are two types of SN Ia progenitors -- short-lived and long-lived. On the basis of this idea, we develope a theory of a unified mechanism for the formation of the bimodal radial distribution of iron and oxygen in the Galactic disc. The underlying cause for the formation of the fine structure of the radial abundance pattern is the influence of spiral arms, specifically, the combined effect of the corotation resonance and turbulent diffusion. From our modelling we conclude that to explain the bimodal radial distributions simultaneously for oxygen and iron and to obtain approximately equal total iron output from different types of supernovae, the mean ejected iron mass per supernova event should be the same as quoted in literature if maximum mass of stars, that eject heavy elements, is $50 M_{\odot}$. For the upper mass limit of $70 M_{\odot}$ the production of iron by a supernova II explosion should be increased by about 1.5 times.",0909.0626v1 2011-03-23,Magnetic Frustration and Iron-Vacancy Ordering in Iron-Chalcogenide,"We show that the magnetic and vacancy orders in the 122 $(A_{1-y}Fe_{2-x}Se_2)$ iron-chalcogenides can be naturally derived from the $J_1-J_2-J_3$ model with $J_1$ being the ferromagnetic (FM) nearest neighbor exchange coupling and $J_{2}, J_3$ being the antiferromagnetic (AFM) next and third nearest neighbor ones respectively, previously proposed to describe the magnetism in the 11(FeTe/Se) systems. In the 11 systems, the magnetic exchange couplings are extremely frustrated in the ordered bi-collinear antiferromagnetic state so that the magnetic transition temperature is low. In the 122 systems, the formation of iron vacancy order reduces the magnetic frustration and significantly increases the magnetic transition temperature and the ordered magnetic moment. The pattern of the 245 iron-vacancy order ($\sqrt{5}\times \sqrt{5}$) observed in experiments is correlated to the maximum reduction of magnetic frustration. The nature of the iron-vacancy ordering may hence be electronically driven. We explore other possible vacancy patterns and magnetic orders associated with them. We also calculate the spin wave excitations and their novel features to test our model.",1103.4599v2 2011-09-01,Iron and nickel diffusion in subdwarf B stars,"Pulsations in subdwarf B stars are attributed to radiative levitation of iron-group elements in the stellar envelope. Until now, only iron diffusion is accounted for in stellar models used for sdB seismology. However, nickel has also been suggested as a contributor to the opacity bump that drives the pulsation modes. Stellar models including time-dependent atomic diffusion, as we compute here, are needed to evaluate the importance of different iron-group elements for mode driving. We perform detailed calculations of radiative accelerations of H, He, C, N, O, Ne, Mg, Fe and Ni and include these in Burgers' diffusion equations. We compute the evolution and non-adiabatic pulsations of a typical subdwarf B star. We show that, despite its lower initial abundance, nickel accumulates to comparable mass fractions as iron in the sdB envelope. For accurate determination of pulsation frequencies and mode instability, it is essential that diffusion of both metals are included in stellar models. The role of other iron-group elements remain to be evaluated.",1109.0121v1 2012-06-20,Mössbauer study of the '11' iron-based superconductors parent compound Fe(1+x)Te,"57Fe Moessbauer spectroscopy was applied to investigate the superconductor parent compound Fe(1+x)Te for x=0.06, 0.10, 0.14, 0.18 within the temperature range 4.2 K - 300 K. A spin density wave (SDW) within the iron atoms occupying regular tetrahedral sites was observed with the square root of the mean square amplitude at 4.2 K varying between 9.7 T and 15.7 T with increasing x. Three additional magnetic spectral components appeared due to the interstitial iron distributed over available sites between the Fe-Te layers. The excess iron showed hyperfine fields at approximately 16 T, 21 T and 49 T for three respective components at 4.2 K. The component with a large field of 49 T indicated the presence of isolated iron atoms with large localized magnetic moment in interstitial positions. Magnetic ordering of the interstitial iron disappeared in accordance with the fallout of the SDW with the increasing temperature.",1206.4439v1 2013-02-20,Absence of strong magnetic fluctuations in the iron phosphide superconductors LaFePO and Sr2ScO3FeP,"We report neutron inelastic scattering measurements on polycrystalline LaFePO and Sr2ScO3FeP, two members of the iron phosphide families of superconductors. No evidence is found for any magnetic fluctuations in the spectrum of either material in the energy and wavevector ranges probed. Special attention is paid to the wavevector at which spin-density-wave-like fluctuations are seen in other iron-based superconductors. We estimate that the magnetic signal, if present, is at least a factor of four (Sr2ScO3FeP) or seven (LaFePO) smaller than in the related iron arsenide and chalcogenide superconductors. These results suggest that magnetic fluctuations are not as influential on the electronic properties of the iron phosphide systems as they are in other iron-based superconductors.",1302.5057v2 2013-04-23,Theoretical study of solid iron nanocrystal movement inside a carbon nanotube,"We use a first-principles based kinetic Monte Carlo simulation to study the movement of a solid iron nanocrystal inside a carbon nanotube driven by the electrical current. The origin of the iron nanocrystal movement is the electromigration force. Even though the iron nanocrystal appears to be moving as a whole, we find that the core atoms of the nanocrystal is completely stationary, and only the surface atoms are moving. Movement in the contact region with the carbon nanotube is driven by electromigration forces, and the movement on the remaining surfaces is driven by diffusion. Results of our calculations also provide a simple model which can predict the center of mass speed of the iron nanocrystal over a wide range of parameters. We find both qualitative and quantitative agreement of the iron nanocrystal center of mass speed with experimental data.",1304.6438v1 2014-04-14,Structure and composition of the superconducting phase in alkali iron selenide K$_y$Fe$_{1.6+x}$Se$_2$,"We use neutron diffraction to study the temperature evolution of the average structure and local lattice distortions in insulating and superconducting potassium iron selenide K$_y$Fe$_{1.6+x}$Se$_2$. In the high temperature paramagnetic state, both materials have a single phase with crystal structure similar to that of the BaFe$_2$As$_2$ family of iron pnictides. While the insulating K$_y$Fe$_{1.6+x}$Se$_2$ forms a $\sqrt{5}\times\sqrt{5}$ iron vacancy ordered block antiferromagnetic (AF) structure at low-temperature, the superconducting compounds spontaneously phase separate into an insulating part with $\sqrt{5}\times\sqrt{5}$ iron vacancy order and a superconducting phase with chemical composition of K$_z$Fe$_{2}$Se$_2$ and BaFe$_2$As$_2$ structure. Therefore, superconductivity in alkaline iron selenides arises from alkali deficient K$_z$Fe$_{2}$Se$_2$ in the matrix of the insulating block AF phase.",1404.3715v1 2014-08-05,Effect of the iron valence in the two types of layers in LiFeO$_2$Fe$_2$Se$_2$,"We perform electronic structure calculations for the recently synthesized iron-based superconductor LiFeO$_2$Fe$_2$Se$_2$. In contrast to other iron-based superconductors, this material comprises two different iron atoms in 3$d^5$ and 3$d^6$ configurations. In band theory, both contribute to the low-energy electronic structure. Spin-polarized density functional theory calculations predict an antiferromagnetic metallic ground state with different moments on the two Fe sites. However, several other almost degenerate magnetic configurations exist. Due to their different valences, the two iron atoms behave very differently when local quantum correlations are included through the dynamical mean-field theory. The contributions from the half-filled 3$d^5$ atoms in the LiFeO$_2$ layer are suppressed and the 3$d^6$ states from the FeSe layer restore the standard iron-based superconductor fermiology.",1408.0960v2 2014-12-16,Raman-assisted crystallography reveals end-on peroxide intermediates in a nonheme iron enzyme,"Iron-peroxide intermediates are central in the reaction cycle of many iron-containing biomolecules. We trapped iron(III)-(hydro)peroxo species in crystals of superoxide reductase (SOR), a nonheme mononuclear iron enzyme that scavenges superoxide radicals. X-ray diffraction data at 1.95 angstrom resolution and Raman spectra recorded in crystallo revealed iron-(hydro)peroxo intermediates with the (hydro)peroxo group bound end-on. The dynamic SOR active site promotes the formation of transient hydrogen bond networks, which presumably assist the cleavage of the iron-oxygen bond in order to release the reaction product, hydrogen peroxide.",1412.5040v1 2015-01-05,Reversed anisotropy of the in-plane resistivity in the antiferromagnetic phase of iron tellurides,"We systematically investigated the anisotropic in-plane resistivity of the iron telluride including three kinds of impurity atoms: excess Fe, Se substituted for Te, and Cu substituted for Fe. Sizable resistivity anisotropy was found in the magneto-structurally ordered phase whereas the sign is opposite ($\rho_a$ $>$ $\rho_b$, where the $b$-axis parameter is shorter than the $a$-axis one) to that observed in the transition-metal doped iron arsenides ($\rho_a$ $<$ $\rho_b$). On the other hand, our results demonstrate that the magnitude of the resistivity anisotropy in the iron tellurides is correlated with the amount of impurities, implying that the resistivity anisotropy originates from an exotic impurity effect like that in the iron arsenides. This suggests that the anisotropic carrier scattering by impurities is a universal phenomenon in the magneto-structurally ordered phase of the iron-based materials.",1501.00774v1 2015-03-24,Iron spin crossover and its influence on post-perovskite transitions in MgSiO$_3$ and MgGeO$_3$,"MgGeO$_3$-perovskite is known to be a low-pressure analog of MgSiO$_3$-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigation of spin state changes in Fe-bearing MgGeO$_3$ might help to clarify some aspects of this type of state change in Fe-bearing MgSiO$_3$. Using DFT+U calculations, we have investigated pressure induced spin state changes in Fe$^{2+}$ and Fe$^{3+}$ in MgGeO$_3$ perovskite and post-perovskite. Owing to the relatively larger atomic size of germanium compared to silicon, germanate phases have larger unit cell volume and inter-atomic distances than equivalent silicate phases at same pressures. As a result, all pressure induced state changes in iron occur at higher pressures in germanate phases than in the silicate ones, be it a spin state change or position change of (ferrous) iron in the perovskite cage. We showed that iron state transitions occur at particular average Fe-O bond-length irrespective of mineral composition (silicate or germanate) or functionals (LDA+U$_{sc}$ or GGA+U$_{sc}$). Ferrous iron substitution decreases the perovskite to post-perovskite (PPv) transition pressure while coupled ferric iron substitution increases it noticeably.",1503.07194v1 2015-05-20,An equatorial ultra iron-poor star identified in BOSS,"We report the discovery of SDSS J131326.89-001941.4, an ultra iron-poor red giant star ([Fe/H] ~ -4.3) with a very high carbon abundance ([C/Fe]~ +2.5). This object is the fifth star in this rare class, and the combination of a fairly low effective temperature (Teff ~ 5300 K), which enhances line absorption, with its brightness (g=16.9), makes it possible to measure the abundances of calcium, carbon and iron using a low-resolution spectrum from the Sloan Digital Sky Survey. We examine the carbon and iron abundance ratios in this star and other similar objects in the light of predicted yields from metal-free massive stars, and conclude that they are consistent. By way of comparison, stars with similarly low iron abundances but lower carbon-to-iron ratios deviate from the theoretical predictions.",1505.05555v1 2015-07-21,Pressure-induced Superconductivity in the Iron-based Ladder Material BaFe2S3,"All the iron-based superconductors identified to date share a square lattice composed of Fe atoms as a common feature, despite having different crystal structures. In copper-based materials, the superconducting phase emerges not only in square lattice structures but also in ladder structures. Yet iron-based superconductors without a square lattice motif have not been found despite being actively sought out. Here, we report the discovery of pressure-induced superconductivity in the iron-based spin-ladder material BaFe2S3, a Mott insulator with striped-type magnetic ordering below ~120 K. On the application of pressure this compound exhibits a metal-insulator transition at about 11 GPa, followed by the appearance of superconductivity below Tc = 14 K, right after the onset of the metallic phase. Our findings indicate that iron-based ladder compounds represent promising material platforms, in particular for studying the fundamentals of iron-based superconductivity.",1507.05864v1 2016-10-27,Non-trivial role of interlayer cation states in iron-based superconductors,"Unconventional superconductivity in iron pnictides and chalcogenides has been suggested to be controlled by the interplay of low-energy antiferromagnetic spin fluctuations and the particular topology of the Fermi surface in these materials. Based on this premise, one would also expect the large class of isostructural and isoelectronic iron germanide compounds to be good superconductors. As a matter of fact, they, however, superconduct at very low temperatures or not at all. In this work we establish that superconductivity in iron germanides is suppressed by strong ferromagnetic tendencies, which surprisingly do not originate from changes in bond-angles or -distances with respect to iron pnictides and chalcogenides, but are due to changes in the electronic structure in a wide range of energies happening upon substitution of atom species (As by Ge and the corresponding spacer cations). Our results indicate that superconductivity in iron-based materials may not always be fully understood based on $d$ or $dp$ model Hamiltonians only.",1610.08626v1 2017-01-12,Interplay of iron and rare-earth magnetic order in rare-earth iron pnictide superconductors under magnetic field,"The magnetic properties of iron pnictide superconductors with magnetic rare-earth ions under strong magnetic field are investigated based on the cluster self-consistent field method. Starting from an effective Heisenberg model, we present the evolution of magnetic structures on magnetic field in RFeAsO (R=Ce, Pr, Nd, Sm, Gd and Tb) and RFe2As2 (R=Eu) compounds. It is found that spin-flop transition occurs in both rare-earth and iron layers under magnetic field, in good agreement with the experimental results. The interplay between rare-earth and iron spins plays a key role in the magnetic-field-driven magnetic phase transition, which suggests that the rare-earth layers can modulate the magnetic behaviors of iron layers. In addition, the factors that affect the critical magnetic field for spin-flop transition are also discussed.",1701.03258v1 2018-09-13,In situ soft x-ray absorption spectroscopic study of Fe/MgO interfaces,"Interfacial reaction between iron and MgO has been studied in situ during deposition of iron on MgO surface, using soft x-ray absorption spectroscopy. High sensitivity of the technique which is capable of detecting even a sub monolayer of a given phase, combined with in situ measurements as a function of iron layer thickness, allowed one to make a quantitative estimate of interfacial phases. Two different substrates namely, MgO (001) single crystal, and a polycrystalline MgO film on Si substrate have been used in order to elucidate the role of the state of MgO surface in controlling the interface structure. It is found that at the interface of iron and MgO film, about two monolayers of Fe3O4 is formed. Fe3O4 being the oxide of iron with the highest heat of formation, the reaction appears to be controlled thermodynamically. On the other hand, on the interface with MgO (001) surface, FeO is formed, suggesting that the reaction is limited by the availability of oxygen atoms. Magnetic behaviour of the FeO layer gets modified significantly due to proximity effect of the bulk ferromagnetic iron layer.",1809.04782v2 2019-01-30,"Tidally-Distorted, Iron-Enhanced Exoplanets Closely Orbiting Their Stars","The transiting planet candidate KOI 1843.03 ($0.6 R_\oplus$ radius, 4.245 hour orbital period, $0.46 M_\odot$ host star) has the shortest orbital period of any planet yet discovered. Here we show, using the first three-dimensional interior structure simulations of ultra-short-period tidally distorted rocky exoplanets, that KOI 1843.03 may be shaped like an American football, elongated along the planet-star axis with an aspect ratio of up to 1.79. Furthermore, for KOI 1843.03 to have avoided tidal disruption (wherein the planet is pulled apart by the tidal gravity of its host star) on such a close-in orbit, KOI 1843.03 must be as iron-rich as Mercury (about 66% by mass iron compared to Mercury's 70% by mass iron, Hauck et al. 2013). Of the ultra-short-period ($P_\mathrm{orb} \lesssim 1$ day) planets with physically-meaningful constraints on their densities characterized to date, just under half (4 out of 9) are iron-enhanced. As more are discovered, we will better understand the diversity of rocky planet compositions and the variety of processes that lead to planetary iron enhancement.",1901.10666v2 2019-09-25,Globular Cluster Intrinsic Iron Abundance Spreads: I. Catalog,"We present an up-to-date catalog of intrinsic iron abundance spreads in the 55 Milky Way globular clusters for which sufficiently precise spectroscopic measurements are available. Our method combines multiple datasets when possible to improve the statistics, taking into account the fact that different methods and instruments can lead to systematically offset metallicities. Only high spectral resolution (R>14,000) studies that measure the equivalent widths of individual iron lines are found to have uncertainties on the metallicities of the individual stars that can be calibrated sufficiently well for the intrinsic dispersion to be separated cleanly from random measurement error. The median intrinsic iron spread is found to be 0.045 dex, which is small but unambiguously measured to be non-zero in most cases. There is large variation between clusters, but more luminous globular clusters, above 10^5 L_sun, have increasingly large iron spreads on average; no trend between iron spread and metallicity is found.",1909.11731v1 2020-04-07,Electronic correlations and transport in iron at Earth's core conditions,"The transport properties of iron under Earth's inner core conditions are essential input for the geophysical modelling but are poorly constrained experimentally. Here we show that the thermal and electrical conductivity of iron at those conditions remains high even if the electron-electron-scattering (EES) is properly taken into account. This result is obtained by ab initio simulations taking into account consistently both thermal disorder and electronic correlations. Thermal disorder suppresses the non-Fermi-liquid behavior of the body-centered cubic iron phase, hence, reducing the EES; the total calculated thermal conductivity of this phase is 220 Wm$^{-1}$K$^{-1}$ with the EES reduction not exceeding 20%. The EES and electron-lattice scattering are intertwined resulting in breaking of the Matthiessen's rule with increasing EES. In the hexagonal close-packed iron the EES is also not increased by thermal disorder and remains weak. Our main finding thus holds for the both likely iron phases in the inner core.",2004.03700v2 2021-07-10,Phase separation near the charge neutrality point in FeSe$_{1-x}$Te$_{x}$ crystals with x $<$ 0.15,"Our study of FeSe$ _ {1-x}$Te$ _ {x}$ crystals with x $<$ 0.15 shows that the phase separation in these compositions occurs into phases with a different stoichiometry of iron. This phase separation may indicate structural instability of the iron plane in the studied range of compositions. To explain it, we discuss the bond polarity and the peculiarity of the direct $d$ exchange in the iron plane in the framework of the basic phenomenological description such as the Bethe-Slater curve. With this approach, when the distance between iron atoms is close to the value at which the sign of the magnetic exchange for some $d$ orbitals changes, structural and electronic instability can occur. Anomalies in the crystal field near the point of charge neutrality can also be a significant component of this instability. A similar instability of the iron plane may also be an important factor for other series of iron-based superconductors.",2107.04793v2 2021-10-27,Synthesis and Characterisation of Iron Oxide Nanoparticles with Tunable Sizes by Hydrothermal Method,"The present study investigates the effect of different reaction times on the crystallinity, surface morphology and size of iron oxide nanoparticles. In this synthetic system, aqueous iron (III) nitrate (Fe(NO$_3$)$_3\cdot9$H$_2$O) nonahydrate, provided the iron source and triethylamine was the precipitant and alkaline agent. The as-synthesised iron oxide nanoparticles were characterised by X-ray diffraction (XRD), Rietveld analysis, Scanning Electron Microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). Prolonged reaction times indicated the change on nanoparticle shape from elongated nanorods to finally distorted nanocubes. Analysis on the crystallinity of the iron oxide nanoparticles suggest that the samples mainly consist of two phases, which are Goethite ($\alpha$-FeOOH) and Hematite $(\alpha$-Fe$_2$O$_3$), respectively.",2110.14774v1 2022-07-29,Structural investigation of Ayurveda Lauha (Iron) Bhasma,"In Ayurveda, Lauha (Iron) bhasma is primarily used to cure diseases related with iron deficiency in humans. It is produced from purified raw metallic iron using a combination of multi-step traditional preparation processes described in the Ayurveda literature. Here, we present results of structural investigation performed on the medicinal grade Lauha bhasma using various X-ray based techniques. Our results indicate that after several rounds of heating and cooling in specific conditions following the Ayurvedic preparation procedure, metallic iron eventually converts to a natural iron-oxide mineral belonging to the Magnetite group. Scanning electron microscopy (SEM) and X-ray standing wave assisted fluorescence measurements carried out on powdered bhasma specimen reveal that the Magnetite micro-particles in the bhasma specimen are usually present in the form of agglomerates of nano-particles. We anticipate that the Ayurvedic Lauha Bhasma has great potential for noninvasive localized target killing of cancer cells, particularly in sensitive parts of the human body such as brain, spinal cord, and lungs, via necrosis by application of an alternating external magnetic field or photo electron generation through X-rays.",2207.14615v3 2022-10-18,Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory,"We present a comprehensive investigation of the electrical and thermal conductivity of iron under high pressures at ambient temperature, employing the real-time formulation of time-dependent density functional theory (RT-TDDFT). Specifically, we examine the influence of a Hubbard correction (+\textit{U}) to account for strong electron correlations. Our calculations based on RT-TDDFT demonstrate that the evaluated electrical conductivity for both high-pressure body-centered cubic (BCC) and hexagonal close-packed (HCP) iron phases agrees well with experimental data. Furthermore, we explore the anisotropy in the thermal conductivity of HCP iron under high pressure, and our findings are consistent with experimental observations. Interestingly, we find that the incorporation of the +\textit{U} correction significantly impacts the ground state and linear response properties of iron at pressures below 50 GPa, with its influence diminishing as pressure increases. This study offers valuable insights into the influence of electronic correlations on the electronic transport properties of iron under extreme conditions.",2210.10132v3 2023-01-16,The fate of water in hydrogen-based iron oxide reduction,"Gas-solid reactions are cornerstones of many catalytic and redox processes that will underpin the energy and sustainability transition. The specific case of hydrogen-based iron oxide reduction is the foundation to render the global steel industry fossil-free, an essential target as iron production is the largest single industrial emitter of carbon dioxide. Our perception of gas-solid reactions has not only been limited by the availability of state-of-the-art techniques which can delve into the reacted solids in great structural and chemical detail, but we continue to miss an important reaction partner that defines the thermodynamics and kinetics of gas phase reactions: the gas molecules. In this investigation, we use the latest development in cryogenic atom probe tomography to study the quasi in-situ evolution of gas phase heavy water at iron-iron oxide interfaces resulting from the direct reduction of iron oxide by deuterium gas at 700{\deg}C. The findings provide new insights into the formation kinetics and location of water formed during hydrogen-based reduction of FeO, an its interaction with the ongoing redox reaction.",2301.06391v1 2024-04-04,The economic consequences of geopolitical fragmentation: Evidence from the Cold War,"The Cold War was the defining episode of geopolitical fragmentation in the twentieth century. Trade between East and West across the Iron Curtain (a symbolical and physical barrier dividing Europe into two distinct areas) was restricted, but the severity of these restrictions varied over time. We quantify the trade and welfare effects of the Iron Curtain and show how the difficulty of trading across the Iron Curtain fluctuated throughout the Cold War. Using a novel dataset on trade between the two economic blocs and a quantitative trade model, we find that while the Iron Curtain at its height represented a tariff equivalent of 48% in 1951, trade between East and West gradually became easier until the fall of the Berlin Wall in 1989. Despite the easing of trade restrictions, we estimate that the Iron Curtain roughly halved East-West trade flows and caused substantial welfare losses in the Eastern bloc countries that persisted until the end of the Cold War. Conversely, the Iron Curtain led to an increase in intra-bloc trade, especially in the Eastern bloc, which outpaced the integration of Western Europe in the run-up to the formation of the European Union.",2404.03508v1 2010-10-25,"An extremely peculiar hot subdwarf with a ten-thousand-fold excess of zirconium, yttrium, and strontium","Helium-rich subdwarf B (He-sdB) stars represent a small group of low-mass hot stars with luminosities greater than those of conventional subdwarf B stars, and effective temperatures lower than those of subdwarf O stars. By measuring their surface chemistry, we aim to explore the connection between He-sdB stars, He-rich sdO stars and normal sdB stars. LS IV-14 116 is a relatively intermediate He-sdB star, also known to be a photometric variable. High-resolution blue-optical spectroscopy was obtained with the Anglo-Australian Telescope. Analysis of the spectrum shows LS IV-14 116 to have effective temperature Teff = 34 000 +/- 500 K, surface gravity log g = 5.6 +/- 0.2, and surface helium abundance nHe = 0.16 +/- 0.03 by number. This places the star slightly above the standard extended horizontal branch, as represented by normal sdB stars. The magnesium and silicon abundances indicate the star to be metal poor relative to the Sun. A number of significant but unfamiliar absorption lines were identified as being due to germanium, strontium, yttrium and zirconium. After calculating oscillator strengths (for Ge, Y and Zr), the photospheric abundances of these elements were established to range from 3 dex (Ge) to 4 dex (Sr, Y and Zr) above solar. The most likely explanation is that these overabundances are caused by radiatively-driven diffusion forming a chemical cloud layer in the photosphere. It is conjectured that this cloud formation could be mediated by a strong magnetic field.",1010.5146v1 2013-02-19,Structure and dynamics in yttrium-based molten rare earth alkali fluorides,"The transport properties of molten LiF-YF3 mixtures have been studied by pulsed field gradient nuclear magnetic resonance spectroscopy, potentiometric experiments, and molecular dynamics simulations. The calculated diffusion coefficients and electric conductivities compare very well with the measurements accross a wide composition range. We then extract static (radial distribution functions, coordination numbers distributions) and dynamic (cage correlation functions) quantities from the simulations. Then, we discuss the interplay between the microscopic structure of the molten salts and their dynamic properties. It is often considered that variations in the diffusion coefficient of the anions are mainly driven by the evolution of its coordination with the metallic ion (Y3+ here). We compare this system with fluorozirconate melts and demonstrate that the coordination number is a poor indicator of the evolution of the diffusion coefficient. Instead, we propose to use the ionic bonds lifetime. We show that the weak Y-F ionic bonds in LiF-YF3 do not induce the expected tendency of the fluoride diffusion coefficient to converge toward the one of yttrium cation when the content in YF3 increases. Implications on the validity of the Nernst-Einstein relation for estimating the electrical conductivity are discussed.",1302.4563v2 2018-10-24,Radiation Damage and Thermal Recovery of Perovskite Superconductor Yttrium Barium Copper Oxide,"High temperature superconducting materials are being considered to generate the magnetic fields required for the confinement of plasma in fusion reactors. The present study aims to assess the microstructural degradation resulting from ion implantation at room temperature under two implantation conditions in Yttrium Barium Copper Oxide (YBCO) tapes. Xray Diffraction (XRD) and high resolution characterisation techniques including Atom Probe Tomography (APT) and Transmission Electron Microscopy (TEM) analyses were used to correlate alterations in superconducting behaviour measured using a Magnetic Properties Measurement System (MPMS) to amorphization and recovery caused by ion implantation. TEM analysis was performed to depth profile the degree of crystallinity (or lack thereof) on irradiated samples. SRIM predicted the damage depth at 900 nm below the sample surface of the 2 MeV Xe implanted sample and 450 nm beneath the surface of the 0.6 MeV Xe implanted sample. 2 MeV Xe implantation caused the superconducting temperature to decrease by 10 K and the critical current density to display a 10 fold reduction. Post irradiation heat treatments up to 600C caused recrystallisation of the irradiated layer, but also oxygen loss and alterations in grain size. The recrystallised grain orientation was random in TEM lamellae, however, bulk samples re-grew along the original crystal orientation provided that some of the original material was not amorphized (ie if they nucleated on crystalline YBCO). This is extremely promising for the thermal recovery of tokamak components.",1810.10477v3 2019-01-10,High-cooperativity coupling of a rare-earth spin ensemble to a superconducting resonator using yttrium orthosilicate as a substrate,"Yttrium orthosilicate (Y$_2$SiO$_5$, or YSO) has proved to be a convenient host for rare-earth ions used in demonstrations of microwave quantum memories and optical memories with microwave interfaces, and shows promise for coherent microwave--optical conversion owing to its favourable optical and spin properties. The strong coupling required by such microwave applications could be achieved using superconducting resonators patterned directly on Y$_2$SiO$_5$, and hence we investigate here the use of Y$_2$SiO$_5$ as an alternative to sapphire or silicon substrates for superconducting hybrid device fabrication. A NbN resonator with frequency 6.008 GHz and low power quality factor $Q \approx 400000$ was fabricated on a Y$_2$SiO$_5$ substrate doped with isotopically enriched Nd$^{145}$. Measurements of dielectric loss yield a loss-tangent $\tan\delta = 4 \times 10^{-6}$, comparable to sapphire. Electron spin resonance (ESR) measurements performed using the resonator show the characteristic angular dependence expected from the anisotropic Nd$^{145}$ spin, and the coupling strength between resonator and electron spins is in the high cooperativity regime ($C = 30$). These results demonstrate Y$_2$SiO$_5$ as an excellent substrate for low-loss, high-Q microwave resonators, especially in applications for coupling to optically-accessible rare earth spins.",1901.03262v2 2019-04-05,"Osmium-Nitrosyl Oxalato-Bridged Lanthanide-Centered Pentanuclear Complexes - Synthesis, Crystal Structures and Magnetic Properties","A series of pentanuclear heterometallic coordination compounds of the general formula (Bu 4 N) 5 [Ln{Os(NO)($\mu$-ox)-Cl 3 } 4 (H 2 O) n ] [Ln = Y (for 2) and Dy (for 3) when n = 0; Ln = Dy (for 3), Tb (for 4), and Gd (for 5) when n = 1] were synthesized by the reaction of the precursor (Bu 4 N) 2 [Os(NO)(ox)-Cl 3 ] (1) with the respective lanthanide(III) (Gd, Tb, Dy) or yttrium(III) chloride. For the five new complexes, the coordination numbers eight or nine are found for the central metal ion. The compounds were fully characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis, magnetic susceptibility measurements, and ESI mass spectrometry. In addition, compound 1 was studied by UV/Vis spectroscopy and cyclic voltammetry. The X-ray dif-fraction analyses revealed that the anionic complexes consist of a lanthanide or yttrium core bridged through oxalato li-gands to four octahedral osmium-nitrosyl moieties. This picture , in which the central ion is eight-coordinate, holds for",1904.02913v1 2019-09-23,Superconductivity up to 243 K in yttrium hydrides under high pressure,"The discovery of high-temperature conventional superconductivity in H3S with a critical temperature of Tc=203 K was followed by the recent record of Tc ~250 K in the face-centered cubic (fcc) lanthanum hydride LaH10 compound. It was realized in a new class of hydrogen-dominated compounds having a clathrate-like crystal structure in which hydrogen atoms form a 3D framework and surround a host atom of rare earth elements. Yttrium hydrides are predicted to have even higher Tc exceeding room temperature. In this paper, we synthesized and refined the crystal structure of new hydrides: YH4, YH6, and YH9 at pressures up to 237 GPa finding that YH4 crystalizes in the I4/mmm lattice, YH6 in Im-3m lattice and YH9 in P63/mmc lattice in excellent agreement with the calculations. The observed very high-temperature superconductivity is comparable to that found in fcc-LaH10: the pressure dependence of Tc for YH9 also displays a ""dome like shape"" with the highest Tc of 243 K at 201 GPa. We also observed a Tc of 227 K at 237 GPa for the YH6 phase. However, the measured Tcs are notably lower by ~30 K than predicted. Evidence for superconductivity includes the observation of zero electrical resistance, a decrease of Tc under an external magnetic field and an isotope effect. The theoretically predicted fcc YH10 with the promising highest Tc>300 K was not stabilized in our experiments under pressures up to 237 GPa.",1909.10482v1 2020-05-23,Hyperfine interaction and coherence time of praseodymium ions at the site 2 in yttrium orthosilicate,"Praseodymium (Pr$^{3+}$) ions doped in the site 1 of yttrium orthosilicate (Y$_2$SiO$_5$) has been widely employed as the photonic quantum memory due to their excellent optical coherence and spin coherence. While praseodymium ions occupying the site 2 in Y$_2$SiO$_5$ crystal have better optical coherence as compared with those at site 1, which may enable better performance in quantum memory. Here we experimentally characterize the hyperfine interactions of the ground state $^3$H$_4$ and excited state $^1$D$_2$ of Pr$^{3+}$ at site 2 in Y$_2$SiO$_5$ using Raman heterodyne detected nuclear magnetic resonance. The Hamiltonians for the hyperfine interaction are reconstructed for both ground state $^3$H$_4$ and excited state $^1$D$_2$ based on the Raman heterodyne spectra in 201 magnetic fields. The two-pulse spin-echo coherence lifetime for the ground state is measured to be 2.6$\pm$0.1 ms at site 2 with zero magnetic field, which is more than five times longer than that at site 1. The magnetic fields with zero first order Zeeman shift in the hyperfine transition for Pr$^{3+}$ at site 2 in Y$_2$SiO$_5$ are identified.",2005.11543v1 2021-03-09,Chemical physics of superconductivity in layered yttrium carbide halides from first principles,"We perform a thorough first-principles study on superconductivity in yttrium carbide halide Y$_2$$X_2$C$_2$ ($X$=Cl, Br, I) whose maximum transition temperature ($T_{\rm c}$) amounts to $\sim$10 K. A detailed analysis on the optimized crystal structures reveals that the Y$_2$C$_2$ blocks are compressed uniaxially upon the halogen substitution from Cl, Br to I, contrary to the monotonic expansion of the lattice vectors. With a nonempirical method based on the density functional theory for superconductors within the conventional phonon mechanism, we successfully reproduce the halogen dependence of $T_{\rm c}$. Anomalously enhanced coupling of one C$_2$ libration mode is observed in Y$_2$I$_2$C$_2$, which imply possible departure from the conventional pairing picture. Utilizing the Wannier representation of the electron-phonon coupling, we show that the halogen electronic orbitals and ionic vibrations scarcely contribute to the superconducting pairing. The halogen dependence of this system is hence an indirect effect of the halogen ions through the uniaxial compressive force on the superconducting Y$_2$C$_2$ blocks. We thus establish a quantitatively reliable picture of the superconducting physics of this system, extracting a unique effect of the atomic substitution which is potentially applicable to other superconductors.",2103.05312v1 2022-04-05,Potential high-$T_{c}$ superconductivity in YCeH$_{x}$ and LaCeH$_{x}$ under pressure,"Lanthanum, yttrium, and cerium hydrides are the three most well-known superconducting binary hydrides (La-H, Y-H, and Ce-H systems), which have gained great attention in both theoretical and experimental studies. Recent studies have shown that ternary hydrides composed of lanthanum and yttrium can achieve high superconductivity around 253 K. In this study we employ the evolutionary-algorithm-based crystal structure prediction (CSP) method and first-principles calculations to investigate the stability and superconductivity of ternary hydrides composed of (Y, Ce) and (La, Ce) under high pressure. Our calculations show that there are multiple stable phases in Y-Ce-H and La-Ce-H systems, among which $P4/mmm$-YCeH$_{8}$, $P\bar{6}m2$-YCeH$_{18}$, $R\bar{3}m$-YCeH$_{20}$, $P4/mmm$-LaCeH$_{8}$, and $R\bar{3}m$-LaCeH$_{20}$ possessing H$_{18}$, H$_{29}$ and H$_{32}$ clathrate structures can maintain both the thermodynamic and lattice-dynamic stabilities. In addition, we also find that these phases also maintain a strong resistance to decomposition at high temperature. Electron-phonon coupling calculations show that only three of these five phases can exhibit high-temperature superconductivity. The superconducting transition temperatures ($T_\mathrm{c}$) of $R\bar{3}m$-YCeH$_{20}$, $R\bar{3}m$-LaCeH$_{20}$, and $P\bar{6}m2$-YCeH$_{18}$ are predicted using the Allen-Dynes-modified McMillan formula to be 122 K at 300 GPa, 116 K at 250 GPa, and 173 K at 150 GPa, respectively. Moreover, the pressure to stabilize $P\bar{6}m2$-YCeH$_{18}$ can be lowered to 150 GPa, suggesting an accessible condition for its high-pressure synthesis.",2204.01921v2 2022-06-29,Optical properties of oxygen-containing yttrium hydride thin films during and after the deposition,"The synthesis of the photochromic YHO films is based on the oxidation of deposited yttrium hydride in ambient conditions. The actual state of the films during the deposition process, which is influenced by the deposition pressure and the oxidation caused by the residual gases, is not completely known. We report on the YHxOy thin films deposited by reactive pulsed-DC magnetron sputtering. Since the visible light transmittance is closely related to the phase and chemical composition of the films, in-situ transmittance measurements during and after deposition are performed. Ex-situ spectroscopic ellipsometry is used to determine the optical constants of YHxOy throughout the film thickness. In order to obtain metallic YH2-x films, the densest possible structure with a high deposition rate is required, otherwise the films could already be partially transparent during the deposition. The transmittance is higher if deposition pressure is increased. This is because of the oxidation promoted by more porous growth of the microstructure that is observed at the surface and cross-section images of the films. The films exhibit a refractive index gradient perpendicular to the substrate surface, which is related to the porosity and variation of the chemical composition.",2206.14644v1 2023-07-25,Computational design of new superconducting materials and their targeted experimental synthesis,"In the last six years (2015-2021), many superconducting hydrides with critical temperatures $\textit{T}$$_C$ of up to 253 K, a record for today, have been discovered. Now, a special field of hydride superconductivity at ultrahigh pressures has developed. For the most part, the properties of superhydrides are well described by the Migdal-Eliashberg theory of strong electron-phonon interaction, especially when anharmonicity of phonons is taken into account. The isotope effect, the effect of the magnetic field (up to 60-70 T) on the critical temperature and critical current in the hydride samples, the dependence of $\textit{T}$$_C$ on the pressure and degree of doping - all data indicate that polyhydrides are conventional superconductors, the theory of which was created by Bardeen, Cooper, and Schrieffer in 1957. This work presents a retrospective analysis of data for 2015-2021 and describes the main directions for future research in the field of hydride superconductivity. The thesis consists of six chapters devoted to the study of the structure and superconductivity of binary and ternary superhydrides of thorium (ThH$_9$ and ThH$_{10}$), yttrium (YH$_6$ and YH$_9$), europium and other lanthanides (Ce, Pr, Nd), and lanthanum-yttrium (La-Y). This work describes the physical properties of cubic decahydrides, hexahydrides, and hexagonal metal nonahydrides, demonstrates high efficiency of evolutionary algorithms and density functional methods in predicting the formation of polyhydrides under high-pressure and high-temperature conditions. We proposed a theoretical-experimental algorithm for analyzing the superconducting properties of hydrides, which makes it possible to systematize the accumulated experimental data. In general, this research is a vivid example of the effectiveness and synergy of modern methods for studying the condensed state of matter under high pressures.",2307.13313v1 2023-08-08,ExoMol line lists -- LIII: Empirical Rovibronic spectra of Yttrium Oxide (YO),"Empirical line lists for the open shell molecule $^{89}$Y$^{16}$O (yttrium oxide) and its isotopologues are presented. The line lists cover the 6 lowest electronic states: $X {}^{2}\Sigma^{+}$, $A {}^{2}\Pi$, $A' {}^{2}\Delta$, $B {}^{2}\Sigma^{+}$, $C {}^{2}\Pi$ and $D {}^{2}\Sigma^{+}$ up to 60000 cm$^{-1}$ ($<0.167$ $\mu$m) for rotational excitation up to $J = 400.5$. An \textit{ab initio} spectroscopic model consisting of potential energy curves (PECs), spin-orbit and electronic angular momentum couplings is refined by fitting to experimentally determined energies of YO, derived from published YO experimental transition frequency data. The model is complemented by empirical spin-rotation and $\Lambda$-doubling curves and \textit{ab initio} dipole moment and transition dipole moment curves computed using MRCI. The \textit{ab initio} PECs computed using the complete basis set limit extrapolation and the CCSD(T) method with its higher quality provide an excellent initial approximation for the refinement. Non-adiabatic coupling curves for two pairs of states of the same symmetry $A$/$C$ and $B$/$D$ are computed using a state-averaged CASSCF and used to built diabatic representations for the $A {}^{2}\Pi$, $C {}^{2}\Pi$, $B {}^{2}\Sigma^{+}$ and $D {}^{2}\Sigma^{+}$ curves. Calculated lifetimes of YO are tuned to agree well with the experiment, where available. The BRYTS YO line lists for are included into the ExoMol data base (www.exomol.com).",2308.04173v3 2001-08-01,Conformal lattice of magnetic bubble domains in garnet film,"We report experimental observations of magnetic bubble domain arrays with no apparent translational symmetry. Additionally the results of comparative numerical studies are discussed. Our goal is to present experimental evidence for natural occurence of conformal structures.",0108009v1 2002-10-13,Enhanced magnetocaloric effect in frustrated magnets,"The magnetothermodynamics of strongly frustrated classical Heisenberg antiferromagnets on kagome, garnet, and pyrochlore lattices is examined. The field induced adiabatic temperature change (dT/dH)_S is significantly larger for such systems compared to ordinary non-frustrated magnets and also exceeds the cooling rate of an ideal paramagnet in a wide range of fields. An enhancement of the magnetocaloric effect is related to presence of a macroscopic number of soft modes in frustrated magnets below the saturation field. Theoretical predictions are confirmed with extensive Monte Carlo simulations.",0210288v1 2003-12-24,Subatomic movements of a domain wall in the Peierls potential,"Movements of individual domain walls in a ferromagnetic garnet were studied with angstrom resolution. The measurements reveal that domain walls can be locked between adjacent crystallographic planes and propagate by distinct steps matching the lattice periodicity. Domain walls are found to be weakly mobile within valleys of the atomic washboard but become unexpectedly flexible on Peierls ridges, where they can be kept in a bi-stable state by ac magnetic field. We describe the latter observation in terms of a single magnetic kink propagating along a domain wall.",0312631v1 2006-03-27,Modeling transient absorption and thermal conductivity in a simple nanofluid,"Molecular dynamics simulations are used to simulate the thermal properties of a model fluid containing nanoparticles (nanofluid). By modelling transient absorption experiments, we show that they provide a reliable determination of interfacial resistance between the particle and the fluid. The flexibility of molecular simulation allows us to consider separately the effect of confinement, particle mass and Brownian motion on the thermal transfer between fluid and particle. Finally, we show that in the absence of collective effects, the heat conductivity of the nanofluid is well described by the classical Maxwell Garnet equation model.",0603704v1 2003-06-16,"Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV","To address the shortage of experimental data for electron spectra of triply-ionized rare earth elements we have calculated energy levels and lifetimes of 4f{n+1} and 4f{n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.",0306141v1 2002-06-17,Energy levels and lifetimes of Gd IV and enhancement of the electron dipole moment,"We have calculated energy levels and lifetimes of 4f7 and 4f6 5d configurations of Gd IV using Hartree-Fock and configuration interaction methods. This allows us to reduce significantly the uncertainty of the theoretical determination of the electron electric dipole moment (EDM) enhancement factor in this ion and, correspondingly, in gadolinium-containing garnets for which such measurements were recently proposed. Our new value for the EDM enhancement factor of Gd+3 is -2.2 +- 0.5. Calculations of energy levels and lifetimes for Eu~III are used to control the accuracy.",0206047v1 1995-11-28,A Supersymmetric Treatment of a Particle Subjected to a Ring-shaped Potential,"The ring-shaped Hartmann potential $V = \eta \sigma^{2} \epsilon_{0} \left( \frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right)$ was introduced in quantum chemistry to describe ring-shaped molecules like benzene. In this article, fundamental concepts of supersymmetric quantum mechanics (SUSYQM) are discussed. The energy eigenvalues and (radial) eigenfunctions of the Hartmann potential are subsequently rederived using the techniques of SUSYQM.",9511040v1 2003-05-12,Comment on Repulsive Casimir Forces,"A recent theoretical calculation shows that the Casimir force between two parallel plates can be repulsive for plates with nontrivial magnetic properties (O. Kenneth et al., Phys. Rev. Lett. 89, 033001 (2002)). According to the authors, the effect may be observed with known materials, such as ferrites and garnets, and it might be possible to engineer micro- or nanoelectromechanical systems (MEMS or NEMS) that could take advantage of a short range repulsive force. Here we show that on the contrary the Casimir force between two parallel plates in vacuum at micron and submicron distance is always attractive.",0305065v1 2004-10-31,A physical basis for the phase in Feynman path integration,"In the path integral formulation of quantum mechanics, the phase factor Exp[iS(x[t])] is associated with every path x[t]. Summing this factor over all paths yields Feynman's propagator as a sum-over-paths. In the original formulation, the complex phase was a mathematical device invoked to extract wave behaviour in a particle framework. In this paper we show that the phase itself can have a physical origin in time reversal, and that the propagator can be drawn by a single deterministic path.",0411005v1 2008-04-10,Density Matrix Renormalization Group Lagrangians,"We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz, as well as within the canonical form of the matrix product that is constructed within the DMRG sweep algorithm. Some of the results obtained are similar to elementary expressions in Hartree-Fock theory, and we draw attention to such analogies. The Lagrangians introduced here will be useful in developing theories of analytic response and derivatives in the DMRG.",0804.1755v1 2008-10-27,Macroscopic signature of protected spins in a dense frustrated magnet,"The inability of systems of interacting objects to satisfy all constraints simultaneously leads to frustration. A particularly important consequence of frustration is the ability to access certain protected parts of a system without disturbing the others. For magnets such ""protectorates"" have been inferred from theory and from neutron scattering, but their practical consequences have been unclear. We show that a magnetic analogue of optical hole-burning can address these protected spin clusters in a well-known, geometrically frustrated Heisenberg system, gadolinium gallium garnet. Our measurements additionally provide a resolution of a famous discrepancy between the bulk magnetometry and neutron diffraction results for this magnetic compound.",0810.4744v1 2009-01-20,Analytic response theory for the density matrix renormalization group,"We propose an analytic response theory for the density matrix renormalization group whereby response properties correspond to analytic derivatives of density matrix renormalization group observables with respect to the applied perturbations. Both static and frequency-dependent response theories are formulated and implemented. We evaluate our pilot implementation by calculating static and frequency dependent polarizabilities of short oligo-di-acetylenes. The analytic response theory is competitive with dynamical density matrix renormalization group methods and yields significantly improved accuracies when using a small number of density matrix renormalization group states. Strengths and weaknesses of the analytic approach are discussed.",0901.3166v1 2009-01-22,Perfect Reflection of Chiral Fermions in Gated Graphene Nanoribbons,"We describe the results of a theoretical study of transport through gated metallic graphene nanoribbons using a non-equilibrium Green function method. Although analogies with quantum field theory predict perfect transmission of chiral fermions through gated regions in one dimension, we find \emph{perfect reflection} of chiral fermions in armchair ribbons for specific configurations of the gate. This effect should be measurable in narrow graphene constrictions gated by a charged carbon nanotube.",0901.3407v1 2010-12-15,Giant transversal particle diffusion in a longitudinal magnetic ratchet,"We study the transversal motion of paramagnetic particles on a uniaxial garnet film, exhibiting a longitudinal ratchet effect in the presence of an oscillating magnetic field. Without the field, the thermal diffusion coefficient obtained by video microscopy is $D_{0}\approx 3\times 10^{-4}$ $\mu m^2/s$. With the field, the transversal diffusion exhibits a giant enhancement by almost four decades and a pronounced maximum as a function of the driving frequency. We explain the experimental findings with a theoretical interpretation in terms of random disorder effects within the magnetic film.",1012.3343v1 2011-03-10,"Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States","Drawing on similarities in Hartree-Fock theory and the theory of matrix product states (MPS), we explore extensions to time evolution, response theory, and Green functions. We derive analytic equations of motion for MPS from the least action principle, which describe optimal evolution in the small time-step limit. We further show how linearized equations of motion yield a MPS random phase approximation, from which one obtains response functions and excitations. Finally we analyze the structure of site-based Green functions associated with MPS, as well as the structure of correlations introduced via the fluctuation-dissipation theorem.",1103.2155v1 2012-03-24,4f and 5d levels of Ce3+ in D2 eightfold oxygen coordination,"The effects on the 4f and 5d levels of Ce3+ of its first coordination shell geometry in Ce-doped oxides with a D2 8-fold site, like garnets, are studied with embedded cluster, wave function based ab initio methods. The only deformations of a CeO8 cube that are found to shift the lowest 4f-5d transition to the red are the symmetric Ce-O bond compression and the tetragonal symmetric bond bending. These results are analyzed in terms of centroid and ligand field stabilization energy differences. The splittings of the upper 5d levels and of the 4f levels are also discussed.",1203.5391v1 2012-10-19,"Magnetization, Magnetic Susceptibility and ESR in Tb3Ga5O12","We report on the measurement of the magnetic susceptibility and of ESR transitions in the garnet substance Tb$_3$Ga$_5$O$_{12}$ (TGG). The results are compared with a calculation in the framework of crystal field theory for the orthorhombic surroundings of the six inequivalent Tb ions of TGG. We also present a calculation of the magnetization for the three main crystal directions.",1210.5350v1 2012-11-06,"Deep trapping states in Cerium doped (Lu,Y,Gd)3(Ga,Al)5O12 single crystal scintillators","We study deep trapping states in Ce3+-doped garnet crystals with the composition (Lu,Y,Gd)3(Ga,Al)5O12, recently shown as having remarkably high light yield. We use thermally stimulated luminescence (TSL) technique above room temperature and determine the composition Gd3Ga3Al2O12 as the host showing the lowest concentration of traps. This host consistently manifest very low afterglow comparable to that of the standard BGO crystal. We also perform TSL glow peak analysis based on the initial rise technique to evaluate trap depth and other characteristics associated with TSL peaks.",1211.1256v1 2014-02-14,Nonlinearity management of photonic composites and observation of spatial-modulation instability due to quintic nonlinearity,"We present a procedure for nonlinearity management of metal-dielectric composites. Varying the volume fraction occupied by silver nanoparticles suspended in acetone we could cancel the refractive index related to the third-order susceptibility, $\chi_{eff}^{(3)}$, and the nonlinear refraction behavior was due to the fifth-order susceptibility, $\chi_{eff}^{(5)}$. Hence, in a cross-phase modulation experiment, we demonstrated for the first time the effect of spatial-modulation- instability due to $\chi_{eff}^{(5)}$. The results are corroborated with numerical calculations based on a generalized Maxwell-Garnet model.",1402.3345v1 2014-02-23,The intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model,"We obtain the phase-diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use clusters from 2-12 sites and lattices at the thermodynamic limit. We identify a paramagnetic insulating state, with possible hexagonal cluster order, competitive with the antiferromagnetic phase at intermediate coupling. However, its stability is strongly cluster and lattice size dependent, explaining controver- sies in earlier work. Our results support the paramagnetic insulator as being a metastable, rather than a true, intermediate phase, in the thermodynamic limit.",1402.5622v1 2014-07-03,Origin of the Phonon Hall Effect in Rare-Earth Garnets,"The phonon Hall effect has been observed in the paramagnetic insulator, Tb3Gd5O12. A magnetic field applied perpendicularly to a heat current induces a temperature gradient that is perpendicular to both the field and the current. We show that this effect is due to resonant skew scattering of phonons from the crystal field states of superstoichiometric Tb^3+ ions. This scattering originates from the coupling between the quadrupole moment of Tb^3+ ions and the lattice strain. The estimated magnitude of the effect is consistent with experimental observations at T=5 K, and can be significantly enhanced by increasing temperature.",1407.0802v2 2015-02-16,Correct quantum chemistry in a minimal basis from effective Hamiltonians,"We describe how to create ab-initio effective Hamiltonians that qualitatively describe correct chemistry even when used with a minimal basis. The Hamiltonians are obtained by folding correlation down from a large parent basis into a small, or minimal, target basis, using the machinery of canonical transformations. We demonstrate the quality of these effective Hamiltonians to correctly capture a wide range of excited states in water, nitrogen, and ethylene, and to describe ground and excited state bond-breaking in nitrogen and the chromium dimer, all in small or minimal basis sets.",1502.04698v1 2015-02-26,Excited state geometry optimization with the density matrix renormalization group as applied to polyenes,"We describe and extend the formalism of state-specific analytic density matrix renormalization group (DMRG) energy gradients, first used by Liu et al (J. Chem. Theor.Comput. 9, 4462 (2013)). We introduce a DMRG wavefunction maximum overlap following technique to facilitate state-specific DMRG excited state optimization. Using DMRG configuration interaction (DMRG-CI) gradients we relax the low-lying singlet states of a series of trans-polyenes up to C20H22. Using the relaxed excited state geometries as well as correlation functions, we elucidate the exciton, soliton, and bimagnon (""single-fission"") character of the excited states, and find evidence for a planar conical intersection.",1502.07731v2 2015-12-31,A time-dependent formulation of multi-reference perturbation theory,"We discuss the time-dependent formulation of perturbation theory in the context of the interacting zeroth-order Hamiltonians that appear in multi-reference situations. As an example, we present a time-dependent formulation and implementation of second-order n-electron valence perturbation theory. The resulting t-NEVPT2 method yields the fully uncontracted n-electron valence perturbation wavefunction and energy, but has a lower computational scaling than the usual contracted variants, and also avoids the construction of high-order density matrices and the diagonalization of metrics. We present results of t-NEVPT2 for the water, nitrogen, carbon, and chromium molecules, and outline directions for the future.",1512.09213v2 2016-02-12,Density matrix embedding theory for interacting electron-phonon systems,"We describe the extension of the density matrix embedding theory (DMET) framework to coupled interacting fermion-boson systems. This provides a frequency-independent, entanglement embedding formalism to treat bulk fermion-boson problems. We illustrate the concepts within the context of the one-dimensional Hubbard-Holstein model, where the phonon bath states are obtained from the Schmidt decomposition of a self-consistently adjusted coherent state. We benchmark our results against accurate density matrix renormalization group calculations.",1602.04195v1 2016-05-16,The degree of commutativity and lamplighter groups,"The degree of commutativity of a group $G$ measures the probability of choosing two elements in $G$ which commute. There are many results studying this for finite groups. In [AMV17], this was generalised to infinite groups. In this note, we compute the degree of commutativity for wreath products of the form $\mathbb{Z}\wr \mathbb{Z}$ and $F\wr \mathbb{Z}$ where $F$ is any finite group.",1605.04829v2 2016-06-03,Difference of Convex Functions Programming Applied to Control with Expert Data,"This paper reports applications of Difference of Convex functions (DC) programming to Learning from Demonstrations (LfD) and Reinforcement Learning (RL) with expert data. This is made possible because the norm of the Optimal Bellman Residual (OBR), which is at the heart of many RL and LfD algorithms, is DC. Improvement in performance is demonstrated on two specific algorithms, namely Reward-regularized Classification for Apprenticeship Learning (RCAL) and Reinforcement Learning with Expert Demonstrations (RLED), through experiments on generic Markov Decision Processes (MDP), called Garnets.",1606.01128v2 2017-01-17,Gaussian-based coupled-cluster theory for the ground state and band structure of solids,"We present the results of Gaussian-based ground-state and excited-state equation-of-motion coupled-cluster theory with single and double excitations for three-dimensional solids. We focus on diamond and silicon, which are paradigmatic covalent semiconductors. In addition to ground-state properties (the lattice constant, bulk modulus, and cohesive energy), we compute the quasiparticle band structure and band gap. We sample the Brillouin zone with up to 64 k-points using norm-conserving pseudopotentials and polarized double- and triple-zeta basis sets, leading to canonical coupled-cluster calculations with as many as 256 electrons in 2,176 orbitals.",1701.04832v1 2017-09-07,The conjugacy ratio of groups,"In this paper we introduce and study the conjugacy ratio of a finitely generated group, which is the limit at infinity of the quotient of the conjugacy and standard growth functions. We conjecture that the conjugacy ratio is $0$ for all groups except the virtually abelian ones, and confirm this conjecture for certain residually finite groups of subexponential growth, hyperbolic groups, right-angled Artin groups, and the lamplighter group.",1709.02152v1 2017-10-03,Lowering of the complexity of quantum chemistry methods by choice of representation,"The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space, and time-dependent intermediate representations without introducing approximations. We find the scalings of exact Gaussian basis Hartree--Fock theory, second-order M{\o}ller-Plesset perturbation theory, and coupled cluster theory (specifically, linearized coupled cluster doubles and the distinguishable cluster approximation with doubles) to be $\mathcal{O}(N^3)$, $\mathcal{O}(N^3)$, and $\mathcal{O}(N^5)$ respectively, where $N$ denotes system size. These scalings are not asymptotic and hold over all ranges of $N$.",1710.01004v1 2017-11-20,Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group,"We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance (EPR) $g$-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute $g$-tensors for the \ce{TiF3} and \ce{CuCl4^2-} complexes, a [2Fe-2S] model of the active center of ferredoxins, and a \ce{Mn4CaO5} model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining $g$-tensors in multireference calculations with a large number of open shells.",1711.07195v3 2018-03-27,The fate of atomic spin in atomic scattering off surfaces,"We explore model electron dynamics of an atom scattering off a surface within the time-dependent complete active space self consistent field (TD-CASSCF) approximation. We focus especially on the scattering of a hydrogen atom and its resulting spin-dynamics starting from an initially spin-polarized state. Our results reveal competing electronic time-scales that are governed by the electronic structure of the surface as well as the character of the atom. The timescales and nonadiabaticity of the dynamics are reported on by the final spin-polarization of the scattered atom, which may be probed in future experiments.",1803.09895v1 2018-10-08,"Comment on ""Numerical Evidence Falsifying Finite-Temperature Many-Body Perturbation Theory""","In this comment we address the preprint of Jha and Hirata (arXiv:1809.10316 [physics.chem-ph]) which claims ""Numerical Evidence Falsifying Finite-Temperature Many-Body Perturbation Theory."" We agree that finite difference differentiation of the exact grand potential is the correct way to verify the terms in the perturbation expansion. However, it is our suspicion that theoretical errors, uncontrolled numerical errors, and/or errors in their implementation have led Jha and Hirata to incorrectly conclude that finite temperature perturbation theory is incorrect. We show numerical evidence from finite difference differentiation of the grand potential that supports the correctness of finite-temperature perturbation theory.",1810.03653v2 2019-04-24,Layered optomagnonic structures: Time Floquet scattering-matrix approach,"A fully dynamic theoretical approach to layered optomagnonic structures, based on a time Floquet scattering-matrix method, is developed. Its applicability is demonstrated on a simple design of a dual photonic-magnonic cavity, formed by sandwiching a magnetic garnet thin film between two dielectric Bragg mirrors, subject to continuous excitation of a perpendicular standing spin wave. Some remarkable phenomena, including nonlinear photon-magnon interaction effects and enhanced inelastic light scattering in the strong-coupling regime, fulfilling a triple-resonance condition, are analyzed and the limitations of the quasistatic adiabatic approximation are established.",1904.10714v1 2019-05-02,Projected Density Matrix Embedding Theory with Applications to the Two-Dimensional Hubbard Model,"Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We propose a new method, called projected density matrix embedding theory (p-DMET), which achieves self-consistency without needing to optimize a correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.",1905.00886v2 2019-07-26,Time-dependent coupled cluster theory on the Keldysh contour for non-equilibrium systems,"We leverage the Keldysh formalism to extend our implementation of finite temperature coupled cluster theory [\textit{J. Chem. Theory Comput.} 2018, \textit{14}, 5690-5700] to thermal systems that have been driven out of equilibrium. The resulting Keldysh coupled cluster theory is discussed in detail. We describe the implementation of the equations necessary to perform Keldysh coupled cluster singles and doubles calculations of finite temperature dynamics, and we apply the method to some simple systems including a Hubbard model with a Peierls phase and an {\it ab initio} model of warm-dense silicon subject to an ultrafact XUV pulse.",1907.11695v1 2020-01-09,Theoretical Prediction of Magnetic Exchange Coupling Constants from Broken-Symmetry Coupled Cluster Calculations,"Exchange coupling constants ($J$) are fundamental to the understanding of spin spectra of magnetic systems. Here we investigate the broken-symmetry (BS) approaches of Noodleman and Yamaguchi in conjunction with coupled cluster (CC) methods to obtain exchange couplings. $J$ values calculated from CC in this fashion converge smoothly towards the FCI result with increasing level of CC excitation. We compare this BS-CC scheme to the complementary EOM-CC approach on a selection of bridged molecular cases and give results from a few other methodologies for context.",2001.03226v1 2020-03-06,Dynamical Phase Transitions in a 2D Classical Nonequilibrium Model via 2D Tensor Networks,"We demonstrate the power of 2D tensor networks for obtaining large deviation functions of dynamical observables in a classical nonequilibrium setting. Using these methods, we analyze the previously unstudied dynamical phase behavior of the fully 2D asymmetric simple exclusion process with biases in both the x and y directions. We identify a dynamical phase transition, from a jammed to a flowing phase, and characterize the phases and the transition, with an estimate of the critical point and exponents.",2003.03050v2 2022-07-28,Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond,"We introduce an extension to the PySCF package which makes it automatically differentiable. The implementation strategy is discussed, and example applications are presented to demonstrate the automatic differentiation framework for quantum chemistry methodology development. These include orbital optimization, properties, excited-state energies, and derivative couplings, at the mean-field level and beyond, in both molecules and solids. We also discuss some current limitations and directions for future work.",2207.13836v2 2022-11-07,Multi-site Reaction Dynamics Through Multi-fragment Density Matrix Embedding,"The practical description of disordered chemical reactions, where reactions involve multiple species at multiple sites, is presently challenge using correlated electronic structure methods. Here we describe the gradient theory of multi-fragment density matrix embedding theory, which potentially provides a minimal computational framework to model such processes at the correlated electron level. We present the derivation and implementation of the gradient theory, its validation on model systems and chemical reactions using density matrix embedding, and its application to a molecular dynamics simulation of proton transport in a small water cluster, a simple example of multi-site reaction dynamics.",2211.03728v1 2023-06-28,Fast classical simulation of evidence for the utility of quantum computing before fault tolerance,"We show that a classical algorithm based on sparse Pauli dynamics can efficiently simulate quantum circuits studied in a recent experiment on 127 qubits of IBM's Eagle processor [Nature 618, 500 (2023)]. Our classical simulations on a single core of a laptop are orders of magnitude faster than the reported walltime of the quantum simulations, as well as faster than the estimated quantum hardware runtime without classical processing, and are in good agreement with the zero-noise extrapolated experimental results.",2306.16372v1 2023-08-24,Non-reciprocal coherent all-optical switching between magnetic multi-states,"We present experimental and computational findings of the laser-induced non-reciprocal motion of magnetization during ultrafast photo-magnetic switching in garnets. We found distinct coherent magnetization precession trajectories and switching times between four magnetization states, depending on both directions of the light linear polarization and initial magnetic state. As a fingerprint of the topological symmetry, the choice of the switching trajectory is governed by an interplay of the photo-magnetic torque and magnetic anisotropy. Our results open a plethora of possibilities for designing energy-efficient magnetization switching routes at arbitrary energy landscapes.",2308.12771v1 2016-10-04,Planck's Dusty GEMS. II. Extended [CII] emission and absorption in the Garnet at z=3.4 seen with ALMA,"We present spatially resolved ALMA [CII] observations of the bright (flux density S=400 mJy at 350 microns), gravitationally lensed, starburst galaxy PLCK G045.1+61.1 at z=3.427, the ""Garnet"". This source is part of our set of ""Planck's Dusty GEMS"", discovered with the Planck's all-sky survey. Two emission-line clouds with a relative velocity offset of ~600 km/s extend towards north-east and south-west, respectively, of a small, intensely star-forming clump with a star-formation intensity of 220 Msun/yr/kpc^2, akin to maximal starbursts. [CII] is also seen in absorption, with a redshift of +350 km/s relative to the brightest CO component. [CII] absorption has previously only been found in the Milky Way along sightlines toward bright high-mass star-forming regions, and this is the first detection in another galaxy. Similar to Galactic environments, the [CII] absorption feature is associated with [CI] emission, implying that this is diffuse gas shielded from the UV radiation of the clump, and likely at large distances from the clump. Since absorption can only be seen in front of a continuum source, the gas in this structure can definitely be attributed to gas flowing towards the clump. The absorber could be part of a cosmic filament or merger debris being accreted onto the galaxy. We discuss our results also in light of the on-going debate of the origin of the [CII] deficit in dusty star-forming galaxies.",1610.01169v1 2017-03-09,Magnon mode selective spin transport in compensated ferrimagnets,"We investigate the generation of magnonic thermal spin currents and their mode selective spin transport across interfaces in insulating, compensated ferrimagnet/normal metal bilayer systems. The spin Seebeck effect signal exhibits a non-monotonic temperature dependence with two sign changes of the detected voltage signals. Using different ferrimagnetic garnets, we demonstrate the universality of the observed complex temperature dependence of the spin Seebeck effect. To understand its origin, we systematically vary the interface between the ferrimagnetic garnet and the metallic layer, and by using different metal layers we establish that interface effects play a dominating role. They do not only modify the magnitude of the spin Seebeck effect signal but in particular also alter its temperature dependence. By varying the temperature, we can select the dominating magnon mode and we analyze our results to reveal the mode selective interface transmission probabilities for different magnon modes and interfaces. The comparison of selected systems reveals semi-quantitative details of the interfacial coupling depending on the materials involved, supported by the obtained field dependence of the signal.",1703.03218v2 2017-10-13,Relieving the frustration through Mn$^{3+}$ substitution in Holmium Gallium Garnet,"We present a study on the impact of Mn$^{3+}$ substitution in the geometrically frustrated Ising garnet Ho$_3$Ga$_5$O$_{12}$ using bulk magnetic measurements and low temperature powder neutron diffraction. We find that the transition temperature, $T_N$ = 5.8 K, for Ho$_3$MnGa$_4$O$_{12}$ is raised by almost 20 when compared to Ho$_3$Ga$_5$O$_{12}$. Powder neutron diffraction on Ho$_3$Mn$_x$Ga$_{5-x}$O$_{12}$ ($x$ = 0.5, 1) below $T_N$ shows the formation of a long range ordered ordered state with $\mathbf{k}$ = (0,0,0). Ho$^{3+}$ spins are aligned antiferromagnetically along the six crystallographic axes with no resultant moment while the Mn$^{3+}$ spins are oriented along the body diagonals, such that there is a net moment along [111]. The magnetic structure can be visualised as ten-membered rings of corner-sharing triangles of Ho$^{3+}$ spins with the Mn$^{3+}$ spins ferromagnetically coupled to each individual Ho$^{3+}$ spin in the triangle. Substitution of Mn$^{3+}$ completely relieves the magnetic frustration with $f = \theta_{CW}/T_N \approx 1.1$ for Ho$_3$MnGa$_4$O$_{12}$.",1710.05083v1 2018-11-27,GarNet: A Two-Stream Network for Fast and Accurate 3D Cloth Draping,"While Physics-Based Simulation (PBS) can accurately drape a 3D garment on a 3D body, it remains too costly for real-time applications, such as virtual try-on. By contrast, inference in a deep network, requiring a single forward pass, is much faster. Taking advantage of this, we propose a novel architecture to fit a 3D garment template to a 3D body. Specifically, we build upon the recent progress in 3D point cloud processing with deep networks to extract garment features at varying levels of detail, including point-wise, patch-wise and global features. We fuse these features with those extracted in parallel from the 3D body, so as to model the cloth-body interactions. The resulting two-stream architecture, which we call as GarNet, is trained using a loss function inspired by physics-based modeling, and delivers visually plausible garment shapes whose 3D points are, on average, less than 1 cm away from those of a PBS method, while running 100 times faster. Moreover, the proposed method can model various garment types with different cutting patterns when parameters of those patterns are given as input to the network.",1811.10983v3 2021-03-17,Ionic conductivity optimization of composite polymer electrolytes through filler particle chemical modification,"The addition of filler particles to polymer electrolytes is known to increment their ionic conductivity (IC). A detailed understanding of how the interactions between the constituent materials are responsible for the enhancement, remains to be developed. A significant contribution is ascribed to an increment of the polymer amorphous fraction, induced by the fillers, resulting in the formation of higher ionic conductivity channels in the polymer matrix. However, the dependence of IC on the particle weight load and its composition on the polymer morphology is not fully understood. This work investigates Li ion transport in composite polymer electrolytes (CPE) comprising Bi-doped LLZO particles embedded in PEO: LiTFSI matrixes. We find that the IC optimizes for very low particle weight loads (5 to 10%) and that both its magnitude and the load required, strongly depend on the garnet particle composition. Based on structural characterization results and electrochemical impedance spectroscopy, a mechanism is proposed to explain these findings. It is suggested that the Li-molar content in the garnet particle controls its interactions with the polymer matrix, resulting at the optimum loads reported, in the formation of high ionic conductivity channels. We propose that filler particle chemical manipulation of the polymer morphology is a promising avenue for the further development of composite polymer electrolytes.",2103.09887v1 2021-04-30,A numerical exploration of signal detector arrangement in a spin-wave reservoir computing device,"This paper studies numerically how the signal detector arrangement influences the performance of reservoir computing using spin waves excited in a ferrimagnetic garnet film. This investigation is essentially important since the input information is not only conveyed but also transformed by the spin waves into high-dimensional information space when the waves propagate in the film in a spatially distributed manner. This spatiotemporal dynamics realizes a rich reservoir-computational functionality. First, we simulate spin waves in a rectangular garnet film with two input electrodes to obtain spatial distributions of the reservoir states in response to input signals, which are represented as spin vectors and used for a machine-learning waveform classification task. The detected reservoir states are combined through readout connection weights to generate a final output. We visualize the spatial distribution of the weights after training to discuss the number and positions of the output electrodes by arranging them at grid points, equiangularly circular points or at random. We evaluate the classification accuracy by changing the number of the output electrodes, and find that a high accuracy ($>$ 90\%) is achieved with only several tens of output electrodes regardless of grid, circular or random arrangement. These results suggest that the spin waves possess sufficiently complex and rich dynamics for this type of tasks. Then we investigate in which area useful information is distributed more by arranging the electrodes locally on the chip. Finally, we show that this device has generalization ability for input wave-signal frequency in a certain frequency range. These results will lead to practical design of spin-wave reservoir devices for low-power intelligent computing in the near future.",2104.14915v1 2021-08-30,Bright and dark states of two distant macrospins strongly coupled by phonons,"We study the collective dynamics of two distant magnets coherently coupled by acoustic phonons that are transmitted through an intercalated crystal. By tuning the ferromagnetic resonances of the two magnets to an acoustic resonance of the crystal, we control a coherent three levels system. We show that the parity of the phonon mode governs the nature of the indirect coupling between the magnets: the resonances with odd / even phonon modes correspond to out-of-phase / in-phase lattice displacements at the magnets, leading to bright / dark states in response to uniform microwave magnetic fields, respectively. The sample is a tri-layer garnet consisting of two thin magnetic layers epitaxially grown on both sides of a half-millimeter thick non-magnetic single crystal. In spite of the relatively weak magneto-elastic interaction, the long lifetimes of the magnon and phonon modes in the sample are the key to unveil this long range strong coupling. This demonstrates that garnets are a great platform to study multi-partite hybridization process between magnon and phonons at microwave frequencies.",2108.13272v2 2022-02-06,Enhancing Perpendicular Magnetic Anisotropy in Garnet Ferrimagnet by Interfacing with Few-Layer WTe2,"Engineering magnetic anisotropy in a ferro- or ferrimagnetic (FM) thin film is crucial in spintronic device. One way to modify the magnetic anisotropy is through the surface of the FM thin film. Here, we report the emergence of a perpendicular magnetic anisotropy (PMA) induced by interfacial interactions in a heterostructure comprised of a garnet ferrimagnet, Y3Fe5O12 (YIG), and the low-symmetry, high spin orbit coupling (SOC) transition metal dichalcogenide, WTe2. At the same time, we also observed an enhancement in Gilbert damping in the WTe2 covered YIG area. Both the magnitude of interface-induced PMA and the Gilbert damping enhancement have no observable WTe2 thickness dependence down to single quadruple-layer, indicating that the interfacial interaction plays a critical role. The ability of WTe2 to enhance the PMA in FM thin film, combined with its previously reported capability to generate out-of-plane damping like spin torque, makes it desirable for magnetic memory applications.",2202.02834v1 2022-06-23,An Investigation into the Kinetics of $Li^+$ Ion Migration in Garnet-Type Solid State Electrolyte: $Li_7La_3Zr_2O_{12}$,"An all solid-state thin film lithium ion battery has been touted the holy grail for energy storage technology ever since the inception of the first one in 1986 by Keiichi Kanehori. Solid-state batteries provide the distinct advantage of outperforming current technology by having a simpler composition, being easier and cheaper to manufacture, safer and having a higher theoretical gravimetric and volumetric energy density. The commercialization of this technology however, is plagued by its own set of challenges, primarily low ionic conductivity and interfacial stability of the solid-state electrolyte separating the anode and cathode, a small electrochemical window and sub-par mechanical properties. In the last decade considerable progress has been made in remedying these issues with garnet-type electrolytes, especially Li7La3Zr2O12 (LLZO), having emerged the leading contender. This has prompted renewed effects into the field of solid-state ionic's and maximizing the ionic conductivity of LLZO by modifying its properties, primarily by means of doping with a varying degree of success. Carving a clear road ahead requires an in-depth understanding of the origin of the high Li+ ion conductivity, the primary means of investigating which is by first-principle methods. In this term paper we try to gain insight into the origin of mechanisms at play that drive the collective migration of Li+ ions in LLZO using a first-principles approach, to gain a deeper understanding and appreciation for optimizing its properties for use in next-generation energy storage systems.",2206.11435v1 2024-02-06,Magnon mediated spin pumping by coupled ferrimagnetic garnets heterostructure,"Spin pumping has significant implications for spintronics, providing a mechanism to manipulate and transport spins for information processing. Understanding and harnessing spin currents through spin pumping is critical for the development of efficient spintronic devices. The use of a magnetic insulator with low damping, enhances the signal-to-noise ratio in crucial experiments such as spin-torque ferromagnetic resonance (FMR) and spin pumping. A magnetic insulator coupled with a heavy metal or quantum material offers a more straight forward model system, especially when investigating spin-charge interconversion processes to greater accuracy. This simplicity arises from the absence of unwanted effects caused by conduction electrons unlike in ferromagnetic metals. Here, we investigate the spin pumping in coupled ferrimagnetic (FiM) Y3Fe5O12 (YIG)/Tm3Fe5O12 (TmIG) bilayers combined with heavy-metal (Pt) using the inverse spin Hall effect (ISHE). It is observed that magnon transmission occurs at both of the FiMs FMR positions. The enhancement of spin pumping voltage (Vsp) in the FiM garnet heterostructures is attributed to the strong interfacial exchange coupling between FiMs. The modulation of Vsp is achieved by tuning the bilayer structure. Further, the spin mixing conductance for these coupled systems is found to be 10^18 m^-2. Our findings describe a novel coupled FiM system for the investigation of magnon coupling providing new prospects for magnonic devices.",2402.03734v1 2024-03-04,"Double magnetic transition, complex field-induced phases, and large magnetocaloric effect in the frustrated garnet compound Mn$_{3}$Cr$_{2}$Ge$_{3}$O$_{12}$","A detailed study of the magnetic and magnetocaloric properties of a garnet compound Mn$_{3}$Cr$_{2}$Ge$_{3}$O$_{12}$ is carried out using x-ray diffraction, magnetization, heat capacity, and neutron diffraction measurements as well as \textit{ab initio} band-structure calculations. This compound manifests two successive magnetic transitions at $T_{\rm N1} \simeq 4.5$ K and $T_{\rm N2} \simeq 2.7$ K. Neutron powder diffraction experiments reveal that these two transitions correspond to the collinear and non-collinear antiferromagnetic ordering of the nonfrustrated Cr$^{3+}$ and frustrated Mn$^{2+}$ sublattices, respectively. The interactions within each of the Cr and Mn sublattices are antiferromagnetic, while the inter-sublattice interactions are ferromagnetic. The $H-T$ phase diagram is quite complex and displays multiple phases under magnetic field, which can be attributed to the frustrated nature of the spin lattice. Mn$_{3}$Cr$_{2}$Ge$_{3}$O$_{12}$ shows a large magnetocaloric effect with a maximum value of isothermal entropy change $\Delta S_{\rm m} \simeq -23$ J/kg-K and adiabatic temperature change $\Delta T_{\rm ad} \simeq 9$ K for a field change of 7 T. Further, a large value of the relative cooling power ($RCP \simeq 360$ J/kg) demonstrates the promise of using this compound in magnetic refrigeration.",2403.02082v2 2024-03-22,UV- and X-ray-activated broadband NIR garnet-type Ca3Ga2Sn3O12:Fe3+ phosphors with efficient persistent luminescence,"Near-infrared phosphor-converted light-emitting diodes (NIR pc-LEDs) are compact light sources of great interest for NIR spectroscopy applications. Beyond typical Cr3+-activated NIR-emitting phosphors, there exists a strong demand for Cr3+-free alternatives with high efficiency and broadband emission to rich the landscape of NIR luminescent materials and extend their range of application fields. Here, we report a series of Fe3+-activated Ca3Ga2Sn3O12 garnet-type phosphors exhibiting broadband NIR emission in the 650-1000 nm range attributed to 4T1(G)-->6A1(S) transition, with a maximum at 754 nm and a FWHM of 89 nm upon UV excitation. The spectroscopic results were analyzed according to the Tanabe-Sugano theory from which the crystal field parameter Dq and Racah parameters B and C were obtained for the octahedrally coordinated Fe3+ ion. Notably, the NIR persistent luminescence lasting over 1 h was detected following UV or X-ray irradiation. The possible mechanism involving electron traps was proposed to explain the observed persistent luminescence. Furthermore, a NIR pc-LED was fabricated by coating synthesized phosphor on a UV chip, and its performance was evaluated to assess its potential suitability as a NIR light source. Our discovery of novel type of nontoxic Fe3+-activated broadband NIR luminescence phosphors with efficient NIR persistent luminescence paves the way for discovering Cr3+-free multifunctional NIR luminescence materials, thereby expanding their application possibilities.",2403.15168v1 2001-04-19,An Empirical Ultraviolet Template for Iron Emission in Quasars as Derived from I Zw 1,"We present an empirical template spectrum suitable for fitting/subtracting and studying the FeII and FeIII line emission in the restframe UV spectra of active galatic nuclei (AGNs), the first empirical UV iron template to cover the full 1250 - 3090 A range. Iron emission is often a severe contaminant in optical--UV spectra of AGNs. Its presence complicates and limits the accuracy of measurements of both strong and weak emission lines and the continuum emission, affecting studies of line and continuum interrelations, the ionization structure, and elemental abundances in AGNs. Despite the wealth of work on modeling the AGN FeII emission and the need to account for it in observed AGN spectra, there is no UV template electronically available to aid this process. The iron template we present is based on HST spectra of the Narrow Line Seyfert 1, IZw1. Its intrinsic narrow lines (~900 km/s) and rich iron spectrum make the template particularly suitable for use with most AGN spectra. The iron emission spectrum and the line identifications and measurements are presented and compared with the work of Laor et al. We illustrate the application of the derived FeII and FeIII templates by fitting and subtracting the iron emission from UV spectra of four high-z quasars and of the nearby quasar, 3C273. We briefly discuss the small discrepancies between this observed iron emission and the UV template, and compare the template with previously published ones. We discuss the advantages and limitations of the templates and of the template fitting method. We conclude that the templates work sufficiently well to be a valuable and important tool for eliminating and studying the iron emission in AGNs, at least until accurate theoretical iron emission models are developed. (Abridged)",0104320v1 2008-10-01,Galactic abundance gradients from Cepheids : On the iron abundance gradient around 10-12 kpc,"Context: Classical Cepheids can be adopted to trace the chemical evolution of the Galactic disk since their distances can be estimated with very high accuracy. Aims: Homogeneous iron abundance measurements for 33 Galactic Cepheids located in the outer disk together with accurate distance determinations based on near-infrared photometry are adopted to constrain the Galactic iron gradient beyond 10 kpc. Methods: Iron abundances were determined using high resolution Cepheid spectra collected with three different observational instruments: ESPaDOnS@CFHT, Narval@TBL and FEROS@2.2m ESO/MPG telescope. Cepheid distances were estimated using near-infrared (J,H,K-band) period-luminosity relations and data from SAAO and the 2MASS catalog. Results: The least squares solution over the entire data set indicates that the iron gradient in the Galactic disk presents a slope of -0.052+/-0.003 dex/kpc in the 5-17 kpc range. However, the change of the iron abundance across the disk seems to be better described by a linear regime inside the solar circle and a flattening of the gradient toward the outer disk (beyond 10 kpc). In the latter region the iron gradient presents a shallower slope, i.e. -0.012+/-0.014 dex/kpc. In the outer disk (10-12 kpc) we also found that Cepheids present an increase in the spread in iron abundance. Current evidence indicates that the spread in metallicity depends on the Galactocentric longitude. Finally, current data do not support the hypothesis of a discontinuity in the iron gradient at Galactocentric distances of 10-12 kpc. Conclusions: The occurrence of a spread in iron abundance as a function of the Galactocentric longitude indicates that linear radial gradients should be cautiously treated to constrain the chemical evolution across the disk.",0810.0205v1 2011-11-09,Galactic restrictions on iron production by various Types of supernovae,"We propose a statistical method for decomposition of contributions to iron production from various sources: supernovae Type II and the subpopulations of supernovae Type Ia -- prompt (their progenitors are short-lived stars of ages less then $\sim$100 Myr) and tardy (whose progenitors are long-lived stars of ages $>$100 Myr). To do that, we develop a theory of oxygen and iron synthesis which takes into account the influence of spiral arms on amount of the above elements synthesized by both the supernovae Type II and prompt supernovae Ia. We solve this task without of any preliminary suppositions about the ratio among the portions of iron synthesized by the above sources. The relative portion of iron synthesized by tardy supernovae Ia for the life-time of the Galaxy is $\sim$35 per cent (in the present ISM this portion is $\sim$50 per cent). Correspondingly, the total portion of iron supplied to the disc by supernovae Type II and prompt supernovae Ia is $\sim$65 per cent (in the present ISM this portion is $\sim$50 per cent). The above result slightly depends on the adopted mass of oxygen and iron synthesized during one explosion of supernovae and the shape (bimodal or smooth) of the so-called Delay Time Distribution function. The portions of iron mass distributed between the short-lived supernovae are usually as follows: depending on the ejected masses of oxygen or iron during one supernovae Type II event the relative portion of iron, supplied to the Galactic disc for its age, varies in the range 12 - 32 per cent (in the present ISM 9-25 per cent); the portion supplied by prompt supernovae Ia to the Galactic disc is 33 - 53 per cent (in ISM 26 - 42 per cent).",1111.2152v1 2018-08-27,Why Are Some Gamma-Ray Bursts Hosted by Oxygen-rich Galaxies?,"Theoretically long gamma-ray bursts (GRBs) are expected to happen in low-metallicity environments, because in a single massive star scenario, low iron abundance prevents loss of angular momentum through stellar wind, resulting in ultra-relativistic jets and the burst. In this sense, not just a simple metallicity measurement but also low iron abundance ([Fe/H]<-1.0) is essentially important. Observationally, however, oxygen abundance has been measured more often due to stronger emission. In terms of oxygen abundance, some GRBs have been reported to be hosted by high-metallicity star-forming galaxies, in tension with theoretical predictions. Here we compare iron and oxygen abundances for the first time for GRB host galaxies (GRB 980425 and 080517) based on the emission-line diagnostics. The estimated total iron abundances, including iron in both gas and dust, are well below the solar value. The total iron abundances can be explained by the typical value of theoretical predictions ([Fe/H]<-1.0), despite high oxygen abundance in one of them. According to our iron abundance measurements, the single massive star scenario still survives even if the oxygen abundance of the host is very high, such as the solar value. Relying only on oxygen abundance could mislead us on the origin of the GRBs. The measured oxygen-to-iron ratios, [O/Fe], can be comparable to the highest values among the iron-measured galaxies in the Sloan Digital Sky Survey. Possible theoretical explanations of such high [O/Fe] include the young age of the hosts, top-heavy initial mass function, and fallback mechanism of the iron element in supernova explosions.",1808.08969v1 2021-03-25,Thermodynamic Analysis of Titanium Removal from Molten iron Smelted with Large Amounts of Sodium Additives,"High purity iron is obtained from vanadium-titanium magnetite (VTM) by one-step coal-based direct reduction-smelting process with coal as reductant and sodium carbonate (Na2CO3) as additives. Industrial experiments show that the process of treating molten iron with a large amount of Na2CO3 is effective in removing titanium from molten iron. However, the studies are rarely conducted in thermodynamic relationship between titanium and other components of molten iron, under the condition of a large amount of Na2CO3 additives. In this study, through the thermodynamic database software Factsage8.0, the effects of melting temperature, sodium content and oxygen content on the removal of titanium from molten iron are studied. The results of thermodynamic calculation show that the removal of titanium from molten iron needs to be under the condition of oxidation, and the temperature should be below the critical temperature of titanium removal (the highest temperature at which titanium can be removed). Relatively low temperature and high oxygen content contribute to the removal of titanium from molten iron. The high oxygen content is conducive to the simultaneous removal of titanium and phosphorus from molten iron. In addition, from a thermodynamic point of view, excessive sodium addition inhibits the removal of titanium from molten iron.",2103.13572v1 2021-08-17,"Nigral diffusivity, but not free water, correlates with iron content in Parkinson's disease","The loss of melanized neurons in the substantia nigra pars compacta is a primary feature in Parkinson's disease (PD). Iron deposition occurs in conjunction with this loss. Loss of nigral neurons should remove barriers for diffusion and increase diffusivity of water molecules in regions undergoing this loss. In metrics from single-compartment diffusion tensor imaging models, these changes should manifest as increases in mean diffusivity and the free water compartment as well as and reductions in fractional anisotropy. However, studies examining nigral diffusivity changes from PD with single-compartment models have yielded inconclusive results and emerging evidence in control subjects indicates that iron corrupts diffusivity metrics derived from single-compartment models. Iron-sensitive data and diffusion data were analyzed in two cohorts. The effect of iron on diffusion measures from single- and bi-compartment models was assessed in both cohorts. Measures sensitive to the free water compartment and iron content were found to increase in substantia nigra of the PD group in both cohorts. However, diffusion markers derived from the single-compartment model were not replicated across cohorts. Correlations were seen between single-compartment diffusion measures and iron markers in the discovery cohort and validation cohort but no correlation was observed between a measure from the bi-compartment model related to the free water compartment and iron markers in either cohort. The variability of single-compartment nigral diffusion metrics in PD may be attributed to competing influences of increased iron content, which drives diffusivity down, and increases in the free water compartment, which drives diffusivity up. In contrast to diffusion metrics derived from the single-compartment model, no relationship was seen between iron and the free water compartment in substantia nigra.",2108.07864v1 2024-01-30,Carrier-phase DNS of ignition and combustion of iron particles in a turbulent mixing layer,"Three-dimensional CP-DNS of reacting iron particle dust clouds in a turbulent mixing layer are conducted. The simulation approach considers the Eulerian transport equations for the reacting gas phase and resolves all scales of turbulence, whereas the particle boundary layers are modelled employing the Lagrangian point-particle framework for the dispersed phase. The CP-DNS employs an existing sub-model for iron particle combustion that considers the oxidation of iron to FeO and that accounts for both diffusion- and kinetically-limited combustion. At first, the particle sub-model is validated against experimental results for single iron particle combustion considering various particle diameters and ambient oxygen concentrations. Subsequently, the CP-DNS approach is employed to predict iron particle cloud ignition and combustion in a turbulent mixing layer. The upper stream of the mixing layer is initialised with cold particles in air, while the lower stream consists of hot air flowing in the opposite direction. Simulation results show that turbulent mixing induces heating, ignition and combustion of the iron particles. Significant increases in gas temperature and oxygen consumption occur mainly in regions where clusters of iron particles are formed. Over the course of the oxidation, the particles are subjected to different rate-limiting processes. While initially particle oxidation is kinetically-limited it becomes diffusion-limited for higher particle temperatures and peak particle temperatures are observed near the fully-oxidised particle state. Comparing the present non-volatile iron dust flames to general trends in volatile-containing solid fuel flames, non-vanishing particles at late simulation times and a stronger limiting effect of the local oxygen concentration on particle conversion is found for the present iron dust flames in shear-driven turbulence.",2401.16944v1 1998-09-10,Abundances of UV bright stars in globular clusters. I. ROA 5701 in omega Centauri and Barnard 29 in M 13,"Two UV brights stars in globular clusters, ROA 5701 (omega Cen) and Barnard 29 (M 13) are analysed from high-resolution UV and optical spectra. The main aim is the measurement of iron abundances from UV spectra obtained with the HST-GHRS. In addition atmospheric parameters and abundances for He, C, N, O, and Si are derived from optical spectra (ESO CASPEC) for ROA 5701 or taken from literature for Barnard 29. Both stars are found to be post-asymptotic giant branch stars. Surprisingly, their iron abundances lie significantly below the cluster abundance in both cases. Barnard 29 lies 0.5 dex below the iron abundance derived for giant stars in M 13 and the iron abundance of ROA 5701 is the lowest of any star in omega Cen analysed so far. Barnard 29 shows the same abundance pattern as the red giant stars in M 13, except for its stronger iron deficiency. The iron depletion could be explained by gas-dust separation in the AGB progenitor's atmosphere, if iron condensed into dust grains which were then removed from the atmosphere by a radiatively driven wind. The interpretation of the abundance pattern for ROA 5701 is hampered by the star-to-star abundance variations seen in omega Cen, but its abundance pattern appears to be consistent with the gas-dust separation scenario.",9809128v1 2002-02-05,Iron Features in the XMM-Newton spectrum of NGC 4151,"We present a detailed analysis of the hard X-ray (>2.5 keV) EPIC spectra from the first observations of NGC 4151 made by XMM-Newton. We fit the spectra with a model consisting of a power-law continuum modified by line-of-sight absorption (arising in both partially photoionized and neutral gas) plus additional iron-K emission and absorption features. This model provides an excellent overall fit to the EPIC spectra. The iron K-alpha line is well modelled as a narrow Gaussian component. In contrast to several earlier studies based on data from ASCA, a relativistically broadened iron K-alpha emission feature is not required by the XMM-Newton data. The upper limit on the flux contained in any additional broad line is ~8% of that in the narrow line. The measured intrinsic line width (sigma =32+_7 eV) may be ascribed to (i) the doublet nature of the iron K-alpha line and (ii) emission from low ionization states of iron, ranging from neutral up to ~FeXVII. The additional iron absorption edge arises in cool material and implies factor ~2 overabundance of iron in this component.",0202093v1 2004-04-21,Ultra-Low Iron Abundances in Distant Hot Gas in Galaxy Groups,"A new XMM observation of the outer regions of the galaxy group NGC 5044 indicates hot gas iron abundances of only ~0.15 solar between r=0.2 - 0.4 r_vir. While the total baryon mass within the virial radius may be close to the cosmic mean value observed in rich clusters, the ratio of total iron mass to optical light in NGC 5044 is about 3 times lower than that in rich clusters. The remarkably low iron abundance over a large volume of the intergroup gas in the outer regions of NGC 5044 cannot be easily understood in terms of the outflow of enriched gas in a group wind during its early history or by the long term enrichment by the group member galaxies that currently occupy this region. It is possible that the stars in NGC 5044 did not produce iron with the same efficiency as in clusters, or the iron resides in non-luminous clouds or stars, or the entropy of the iron-enriched gas created in early galactic starburst winds was too high to penetrate the group gas of lower entropy.",0404430v1 2004-12-28,Model atmospheres and X-ray spectra of iron-rich bursting neutron stars. II. Iron rich Comptonized Spectra,"This paper presents the set of plane-parallel model atmosphere equations for a very hot neutron star (X-ray burst source). The model equations assume both hydrostatic and radiative equilibrium, and the equation of state of an ideal gas in local thermodynamic equilibrium (LTE). The equation of radiative transfer includes terms describing Compton scattering of photons on free electrons in fully relativistic thermal motion, for photon energies approaching m_e *c^2. Model equations take into account many bound-free and free-free energy-dependent opacities of hydrogen, helium, and the iron ions, and also a dozen bound-bound opacities for the highest ions of iron. We solve model equations by partial linearisation and the technique of variable Eddington factors. Large grid of H-He-Fe model atmospheres of X-ray burst sources has been computed for 10^7 < T_eff < 3*10^7 K, a wide range of surface gravity, and various iron abundances. We demonstrate that the spectra of X-ray bursters with iron present in the accreting matter differ significantly from pure H-He spectra (published in an earlier paper), and also from blackbody spectra. Comptonized spectra with significant iron abundance are generally closer to blackbody spectra than spectra of H-He atmospheres. The ratio of color to effective temperatures in our grid always remains in the range 1.2 < T_c/T_eff < 1.85. The present grid of model atmospheres and theoretical X-ray spectra will be used to determine the effective temperatures, radii and M/R ratios of bursting neutron stars from observational data.",0412644v1 2005-08-24,Iron Fluorescent Line Emission from Black Hole Accretion Disks with Magnetic Reconnection-Heated Corona,"We investigate the iron K$\alpha$ fluorescent line produced by hard X-ray photons from magnetic reconnection-heated corona. The hot corona with temperature being about $10^9$K can irradiate the underlying disk with a continuum X-ray spectrum produced via thermal Comptonization. Then the iron atoms in the disk photoelectrically absorb X-ray photons and radiate K$\alpha$ line photons. Therefore, the activity of corona is responsible to the iron line emission from the underlying disk. In previous studies, oversimplified X-ray photon sources are often assumed above the disk in order to compute the iron line profile or power-law line emissivity profiles are assumed with an index being a free parameter. We adopt the more realistic corona model constructed by Liu et al. in which the corona is heated by magnetic energy released through the reconnection of magnetic flux loops and which has no free parameter. Then the accretion energy is dominantly dissipated in the corona, in which X-ray photons are efficiently produced and irradiate the underlying disk. We find the local emmisivity of iron line on the disk is approximated as $F_{{\rm K}\alpha}(r)\propto r^{-5}$. The iron line profiles derived from this model give excellent fits to the observational data of MCG-6-30-15 with the profiles derived theoretically for $i\sim 30^{\circ}$ for energy band 4-7keV. Possible origins of line variability are briefly discussed.",0508507v1 2008-04-15,UV and FUV spectroscopy of the hybrid PG 1159-type central star NGC 7094,"Previous studies aiming at the iron-abundance determination in three PG 1159 stars (K 1-16, PG 1159-035, NGC 7094) and a [WC]-PG 1159 transition star (Abell 78) have revealed that no object shows any iron line in the UV spectrum. The stars are iron-deficient by at least 1 dex, typically. A possible explanation is that iron nuclei were transformed by neutron captures into heavier elements (s-process), however, the extent of the iron-destruction would be much stronger than predicted by AGB star models. But if n-captures are the right explanation, then we should observe an enrichment of trans-iron elements. In this paper we report on our search for a possible nickel overabundance in one of the four Fe deficient PG 1159 stars, namely the central star NGC 7094. We are unable to identify any nickel line in HST and FUSE spectra and conclude that Ni is not overabundant. It is conceivable that iron was transformed into even heavier elements, but their identification suffers from the lack of atomic data.",0804.2372v1 2013-06-07,Orbital-dependent effects of electron correlations in microscopic models for iron-based superconductors,"The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/yz models, using a slave-spin technique. For commensurate filling corresponding to that of the parent iron pnictides and chalcogenideds, a Mott transition generally exists in all these models. Near the Mott transition, a strongly correlated metal exhibiting bad metal features and strong orbital selectivity is stabilized due to the interplay of Hund's coupling and orbital-degeneracy breaking. Particularly for the alkaline iron selenides, the ordered vacancies effectively reduce the kinetic energy, thereby pushing the system further into the Mott-insulating regime; in the metallic state, there exists an orbital-selective Mott phase in which the iron 3d xy orbital is Mott localized while the other 3d orbitals are still itinerant. An overall phase diagram for the alkaline iron selenides has been proposed, in which the orbital-selective Mott phase connects between the superconducting phase and the Mott-insulating parent state.",1306.1697v1 2013-06-18,Magnetic anisotropy and lattice dynamics in FeAs studied by Mössbauer spectroscopy,"Iron mono-arsenide in the powder form has been investigated by transmission 57Fe Moessbauer spectroscopy in the temperature range 4.2 - 1000 K. Additional spectra have been obtained at 20 K and 100 K applying external magnetic field of 7 T. It was found that the spin spiral propagating along the c-axis leads to the complex variation of the hyperfine magnetic field amplitude with the spin orientation varying in the a-b plane. The magnitude of the hyperfine field pointing in the direction of the local magnetic moment depends on the orientation of this moment in the a-b plane. Patterns are vastly different for iron located in the [0 k 0] positions and for iron in the [0 k+1/2 0] positions within the orthorhombic cell set to the Pnma symmetry. Lattice softens upon transition to the paramagnetic state at 69.2 K primarily in the a-c plane as seen by iron atoms. This effect is quite large considering lack of the structural transition. Two previously mentioned iron sites are discernible in the paramagnetic region till 300 K by different electron densities on the iron nuclei. The anisotropy of the iron vibrations developed at the transition to the paramagnetic state increases with the temperature in accordance with the harmonic approximation, albeit tends to saturation at high temperatures indicating gradual onset of the quasi-harmonic conditions. It seems that neither hyperfine fields nor magnetic moments are correct order parameters in light of the determined static critical exponents. Sample starts to loose arsenic at about 1000 K and under vacuum.",1306.4170v3 2014-06-22,Using iron line reverberation and spectroscopy to distinguish Kerr and non-Kerr black holes,"The iron K$\alpha$ line commonly observed in the X-ray spectrum of both stellar-mass and supermassive black hole candidates is produced by the illumination of a cold accretion disk by a hot corona. In this framework, the activation of a new flaring region in the hot corona imprints a time variation on the iron line spectrum. Future X-ray facilities with high time resolution and large effective areas may be able to measure the so-called 2-dimensional transfer function; that is, the iron line profile detected by a distant observer as a function of time in response to an instantaneous flare from the X-ray primary source. This work is a preliminary study to determine if and how such a technique can provide more information about the spacetime geometry around the compact object than the already possible measurements of the time-integrated iron line profile. Within our simplified model, we find that a measurement of iron line reverberation can improve constraints appreciably given a sufficiently strong signal, though that most of the information is present in the time-integrated spectrum. Our aim is to test the Kerr metric. We find that current X-ray facilities and data are unable to provide strong tests of the Kerr nature of supermassive black hole candidates. We consider an optimistic case of $10^5$ iron line photons from a next-generation data set. With such data, the reverberation model improves upon the spectral constraint by an order of magnitude.",1406.5677v3 2014-10-01,Millihertz quasi-periodic oscillations and broad iron line from LMC X-1,"We study the temporal and energy spectral characteristics of the persistent black hole X-ray binary LMC X-1 using two XMM-Newton and a Suzaku observation. We report the discovery of low frequency (~ 26-29 mHz) quasi-periodic oscillations (QPOs). We also report the variablity of the broad iron K-alpha line studied earlier with Suzaku. The QPOs are found to be weak with fractional rms amplitude in the ~ 1-2 % range and quality factor Q~2-10 . They are accompanied by weak red noise or zero-centered Lorentzian components with rms variability at the ~ 1-3 % level. The energy spectra consists of three varying components - multicolour disk blackbody (kT_{in} ~ 0.7-0.9 keV), high energy power-law tail (Gamma ~ 2.4 - 3.3) and a broad iron line at 6.4-6.9 keV. The broad iron line, the QPO and the strong power-law component are not always present. The QPOs and the broad iron line appear to be clearly detected in the presence of a strong power-law component. The broad iron line is found to be weaker when the disk is likely truncated and absent when the power-law component almost vanished. These results suggest that the QPO and the broad iron line together can be used to probe the dynamics of the accretion disk and the corona.",1410.0135v2 2014-11-08,Melting of iron close to Earth's inner core boundary conditions and beyond,"Several important geophysical features such as heat flux at the Core-Mantle Boundary or geodynamo production are intimately related with the temperature profile in the Earth's core. However, measuring the melting curve of iron at conditions corresponding to the Earth inner core boundary under pressure of 330 GPa has eluded scientists for several decades. Significant discrepancies in previously reported iron melting temperatures at high pressure have called into question the validity of dynamic measurements. We report measurements made with a novel approach using X-ray absorption spectroscopy using an X-ray free electron laser source coupled to a laser shock experiment. We determine the state of iron along the shock Hugoniot up to 420 GPa (+/- 50) and 10800 K (+/- 1390) and find an upper boundary for the melting curve of iron by detecting solid iron at 130 GPa and molten at 260, 380 and 420 GPa along the shock Hugoniot. Our result establishes unambiguous agreement between dynamic measurement and recent extrapolations from static data thus resolving the long-standing controversy over the reliability of using dynamic compression to study the melting of iron at conditions close to the Earth's inner core boundary and beyond.",1411.2074v1 2015-07-06,Unconventional superconductivity in the layered iron germanide YFe$_2$Ge$_2$,"Since the discovery of superconductivity in LaFePO in 2006, numerous iron-based superconductors have been identified within diverse structure families, all of which combine iron with a group-V (pnictogen) or group-VI (chalco- gen) element. Unconventional superconductivity is extremely rare among transition metal compounds outside these layered iron systems and the cuprates, and it is almost universally associated with highly anisotropic electronic properties and nearly 2D Fermi surface geometries. The iron-based intermetallic YFe$_2$Ge$_2$ features a 3D Fermi surface and a strongly enhanced low temperature heat capacity, which signals strong electronic correlations. We present data from a new generation of high quality samples of YFe$_2$Ge$_2$, which show superconducting transition anomalies below 1.8 K in thermodynamic as well as transport measurements, establishing that superconductivity is intrinsic in this layered iron compound outside the known superconducting iron pnictide or chalcogenide families. The Fermi surface geometry of YFe$_2$Ge$_2$ resembles that of KFe$_2$As$_2$ in the high pressure collapsed tetragonal phase, in which superconductivity at temperatures as high as 10 K has recently been reported, suggesting an underlying connection between the two systems.",1507.01436v2 2015-09-15,Search for New Superconductors: An Electro-Magnetic Phase Transition in an Iron Meteorite Inclusion at 117 K,"The discovery of superconductivity in pnictides and iron chalcogenides inspires the search for new iron based superconducting phases. Iron-rich meteorites present a unique opportunity for this search, because they contain a broad range of compounds produced under extreme growth conditions. We investigated a natural iron sulfide based materials (Troilite) inclusion with its associated minerals in the iron meteorite Tlacotepec. Tlacotepec formed in an asteroidal core under high pressure and at high temperature over millions of years, while insoluble sulfur rich materials segregated into inclusions during cooling along with included minerals. The search for superconductivity in these heterogeneous materials requires a technique capable of detecting minute amounts of a superconducting phase embedded in a non-superconducting matrix. We used Magnetic Field Modulated Microwave Spectroscopy (MFMMS), a very sensitive, selective, and non-destructive technique, to search for superconductivity in heterogeneous systems. Here, we report the observation of an electro-magnetic phase transition at 117 K that causes a MFMMS-response typical of a superconductor. A pronounced and reproducible peak together with isothermal magnetic field sweeps prove the appearance of a new electromagnetic phase below 117 K. This is very similar to the characteristic response due to flux trapping in a granular superconductor with a short coherence length. Although the compound responsible for the peak in the MFMMS-spectra was not identified, it is possibly an iron sulfide based phase, or another material heterogeneously distributed over the inclusion.",1509.04452v2 2017-04-04,Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower Mantle,"Earth's lower mantle is generally believed to be seismically and chemically homogeneous because most of the key seismic parameters can be explained using a simplified mineralogical model at expected press-temperature conditions. However, recent high-resolution tomographic images have revealed seismic and chemical stratification in the middle-to-lower parts of the lower mantle. Thus far, the mechanism for the compositional stratification and seismic inhomogeneity, especially their relationship with the speciation of iron in the lower mantle, remains poorly understood. We have built a complete and integrated thermodynamic model of iron and aluminum chemistry for lower mantle conditions, and from this model has emerged a stratified picture of the valence, spin and composition profile in the lower mantle. Within this picture the lower mantle has an upper region with Fe3+ enriched bridgmanite with high-spin ferropericlase and metallic Fe, and a lower region with low-spin, iron-enriched ferropericlase coexisting with iron-depleted bridgmanite and almost no metallic Fe. The transition between the regions occurs at a depth of around 1600km and is driven by the spin transition in ferropericlase, which significantly changes the iron partitioning and speciation to one that favors Fe2+ in ferropericlase and suppresses Fe3+ and metallic iron formation These changes lead to lowered bulk sound velocity by 3-4% around the mid-lower mantle and enhanced density by ~1% toward the lowermost mantle. The predicted chemically and seismically stratified lower mantle differs dramatically from the traditional homogeneous model.",1704.01140v1 2018-03-05,Iron and silicate dust growth in the Galactic interstellar medium: clues from element depletions,"The interstellar abundances of refractory elements indicate a substantial depletion from the gas phase, that increases with gas density. Our recent model of dust evolution, based on hydrodynamic simulations of the lifecycle of giant molecular clouds (GMCs) proves that the observed trend for [Si$_{gas}$/H] is driven by a combination of dust growth by accretion in the cold diffuse interstellar medium (ISM) and efficient destruction by supernova (SN) shocks (Zhukovska et al. 2016). With an analytic model of dust evolution, we demonstrate that even with optimistic assumptions for the dust input from stars and without destruction of grains by SNe it is impossible to match the observed [Si$_{gas}$/H]$-n_H$ relation without growth in the ISM. We extend the framework developed in our previous work for silicates to include the evolution of iron grains and address a long-standing conundrum: ``Where is the interstellar iron?'. Much higher depletion of Fe in the warm neutral medium compared to Si is reproduced by the models, in which a large fraction of interstellar iron (70%) is locked as inclusions in silicate grains, where it is protected from sputtering by SN shocks. The slope of the observed [Fe$_{gas}$/H]$-n_H$ relation is reproduced if the remaining depleted iron resides in a population of metallic iron nanoparticles with sizes in the range of 1-10nm. Enhanced collision rates due to the Coulomb focusing are important for both silicate and iron dust models to match the observed slopes of the relations between depletion and density and the magnitudes of depletion at high density.",1803.01929v2 2018-08-31,Insight of the thermal conductivity of $ε-$iron at Earth's core conditions from the newly developed direct $ab~initio$ methodology,"The electronic thermal conductivity of iron at Earth's core conditions is an extremely important physical property in geophysics field. However, the exact value of electronic thermal conductivity of iron under extreme pressure and temperature still remains poorly known both experimentally and theoretically. A few recent experimental studies measured the value of the electronic thermal conductivity directly and some theoretical works have predicted the electronic thermal conductivity of iron at Earth's core conditions based on the Kubo-Greenwood method. However, these results differ largely from each other. A very recent research has confirmed that for iron at Earth's core conditions the strength of electron-electron scattering could be comparable to that for electron-phonon scattering, meaning that the electron-electron scattering should also be considered when evaluating the electronic thermal conductivity in the Earth's core situations. Here, by utilizing a newly developed methodology based on direct non-equilibrium $ab~initio$ molecular dynamics simulation coupled with the concept of electrostatic potential oscillation, we predict the electronic thermal conductivity of iron in h.c.p phase. Our methodology inherently includes the electron-phonon and electron-electron interactions under extreme conditions. Our results are comparable to the previous theoretical and experimental studies. More importantly, our methodology provides a new physical picture to describe the heat transfer process in $\epsilon-$iron at Earth's core conditions from the electrostatic potential oscillation point of view and offers a new approach to study thermal transport property of pure metals in planet's cores with different temperature and pressures.",1808.10860v1 2019-06-05,"Small Planets in the Galactic Context: Host Star Kinematics, Iron, and $α$ Element Enhancement","We explored the occurrence rate of small close-in planets among $\textit{Kepler}$ target stars as a function of the iron abundance and the stellar total velocity $V_\mathrm{tot}$. We estimated the occurrence rate of those planets by combining information from LAMOST and the California-$\textit{Kepler}$ Survey (CKS) and found that iron-poor stars exhibit an increase in the occurrence with $V_\mathrm{tot}$ from $f < 0.2$ planets per star at $ V_\mathrm{tot} < 30\ \mathrm{km~s}^{-1}$ to $f \sim 1.2$ at $V_\mathrm{tot} > 90\ \mathrm{km~s}^{-1}$. We suggest this planetary profusion may be a result of a higher abundance of $\alpha$ elements associated with iron-poor, high-velocity stars. Furthermore, we have identified an increase in small planet occurrence with iron abundance, particularly for the slower stars ($V_\mathrm{tot} < 30\ \mathrm{km~s}^{-1}$), where the occurrence increased to $f \sim 1.1$ planets per star in the iron-rich domain. Our results suggest there are two regions in the $([\mathrm{Fe}/\mathrm{H}],[\alpha/\mathrm{Fe}])$ plane in which stars tend to form and maintain small planets. We argue that analysis of the effect of overall metal content on planet occurrence is incomplete without including information on both iron and $\alpha$ element enhancement.",1906.01982v2 2020-06-02,Study of iron complexes in visceral organs and brain from a ${}^57$Fe enriched $β$-thalassaemia mouse model via Mössbauer Spectroscopy,"The hearts, kidneys, livers, spleens and brains of ${}^57$Fe enriched wild-type and heterozygous $\beta$-thalassaemic mice at 1, 3, 6 and 9 months of age were studied by means of M\""ossbauer Spectroscopy at 80K. Ferritin-like iron depositions in the heart and the brain of the thalassaemic mice were found to be slightly increased while significant amounts of Ferritin-like iron were found in the kidneys, liver and spleen. The ferritin-like iron doublet, found in the organs, could be further separated into two sub-doublets representing the inner and surface structures of ferritin mineral core. Surface iron sites were found to be predominant in the hearts and brains of all mice and in the kidneys of the wild-type animals. Ferritin rich in inner iron sites was predominant in the kidneys of the thalassaemic mice, as well as in the livers and in the spleens. The inner-to-surface iron sites ratio was elevated in all thalassaemic samples indicating that besides ferritin amount, the disease can also affect ferritin mineral core structure.",2006.01511v1 2021-03-05,Ferromagnetic Composite Self-Arrangement in Iron-Implanted Epitaxial Palladium Thin Films,"We report on the formation of the dilute $Pd_{1-x}Fe_x$ compositions with tunable magnetic properties under an ion-beam implantation of epitaxial Pd thin films. Binary $Pd_{1-x}Fe_x$ alloys with a mean iron content $x$ of $0.025$, $0.035$ or $0.075$ were obtained by the implantation of $40 keV$ $Fe^+$ ions into the palladium films on MgO (001) substrate to the doses of $0.5\cdot10^{16}, 1.0\cdot10^{16}$ and $3.0\cdot10^{16}$ $ions/cm^2$, respectively. Structural and magnetic studies have shown that iron atoms occupy regular fcc-lattice Pd-sites without the formation of any secondary crystallographic phase. All the iron implanted Pd films reveal ferromagnetism at low temperatures (below $200 K$) with both the Curie temperature and saturation magnetization determined by the implanted iron dose. In contrast to the magnetic properties of the molecular beam epitaxy grown $Pd_{1-x}Fe_x$ alloy films with the similar iron contents, the Fe-implanted Pd films possess weaker in-plane magnetocrystalline anisotropy, and, accordingly, a lower coercivity. The observed multiple ferromagnetic resonances in the implanted $Pd_{1-x}Fe_x$ films indicate a formation of a magnetically inhomogeneous state due to spinodal decomposition into regions, presumably layers, with identical crystal symmetry but different iron contents. The multiphase magnetic structure is robust with respect to the vacuum annealing at $770 K$, though develops towards well-defined local $Pd-Fe$ compositions.",2103.03562v1 2021-09-30,Nucleosynthetic Pt isotope anomalies and the Hf-W chronology of core formation in inner and outer solar system planetesimals,"The 182Hf-182W chronology of iron meteorites provides crucial information on the timescales of accretion and differentiation of some of the oldest planetesimals of the Solar System. Determining accurate Hf-W model ages of iron meteorites requires correction for cosmic ray expo-sure (CRE) induced modifications of W isotope compositions, which can be achieved using in-situ neutron dosimeters such as Pt isotopes. Until now it has been assumed that all Pt isotope variations in meteorites reflect CRE, but here we show that some ungrouped iron meteorites display small nucleosynthetic Pt isotope anomalies. These provide the most appropriate starting composition for the correction of CRE-induced W isotope variations in iron meteorites from all major chemical groups, which leads to a ~1 Ma upward revision of previously reported Hf-W model ages. The revised ages indicate that core formation in non-carbonaceous (NC) iron meteorite parent bodies occurred at ~1-2 Ma after CAI formation, whereas most carbonaceous (CC) iron meteorite parent bodies underwent core formation ~2 Ma later. We show that the younger CC cores have lower Fe/Ni ratios than the earlier-formed NC cores, indicating that core formation under more oxidizing conditions occurred over a more protracted timescale. Thermal modeling of planetesimals heated by 26Al-decay reveals that this protracted core formation timescale is consistent with a higher fraction of water ice in CC compared to NC planetesimals, implying that in spite of distinct core formation timescales, NC and CC iron meteorite parent bodies accreted about contemporaneously within ~1 Ma after CAI formation, but at different radial locations in the disk.",2109.15250v1 2021-10-01,Q-Net: A Quantitative Susceptibility Mapping-based Deep Neural Network for Differential Diagnosis of Brain Iron Deposition in Hemochromatosis,"Brain iron deposition, in particular deep gray matter nuclei, increases with advancing age. Hereditary Hemochromatosis (HH) is the most common inherited disorder of systemic iron excess in Europeans and recent studies claimed high brain iron accumulation in patient with Hemochromatosis. In this study, we focus on Artificial Intelligence (AI)-based differential diagnosis of brain iron deposition in HH via Quantitative Susceptibility Mapping (QSM), which is an established Magnetic Resonance Imaging (MRI) technique to study the distribution of iron in the brain. Our main objective is investigating potentials of AI-driven frameworks to accurately and efficiently differentiate individuals with Hemochromatosis from those of the healthy control group. More specifically, we developed the Q-Net framework, which is a data-driven model that processes information on iron deposition in the brain obtained from multi-echo gradient echo imaging data and anatomical information on T1-Weighted images of the brain. We illustrate that the Q-Net framework can assist in differentiating between someone with HH and Healthy control (HC) of the same age, something that is not possible by just visualizing images. The study is performed based on a unique dataset that was collected from 52 subjects with HH and 47 HC. The Q-Net provides a differential diagnosis accuracy of 83.16% and 80.37% in the scan-level and image-level classification, respectively.",2110.00203v1 2021-10-12,Earth's accretion inferred from iron isotopic anomalies of supernova nuclear statistical equilibrium origin,"Nucleosynthetic Fe isotopic anomalies in meteorites may be used to reconstruct the early dynamical evolution of the solar system and to identify the origin and nature of the material that built planets. Using high-precision iron isotopic data of 23 iron meteorites from nine major chemical groups we show that all iron meteorites show the same fundamental dichotomy between non-carbonaceous (NC) and a carbonaceous (CC) meteorites previously observed for other elements. The Fe isotopic anomalies are predominantly produced by variation in 54Fe, where all CC iron meteorites are characterized by an excess in 54Fe relative to NC iron meteorites. This excess in 54Fe is accompanied by an excess in 58Ni observed in the same CC meteorite groups. Together, these overabundances of 54Fe and 58Ni are produced by nuclear statistical equilibrium either in type Ia supernovae or in the Si/S shell of core-collapse supernovae. The new Fe isotopic data reveal that Earth's mantle plots on or close to correlations defined by Fe, Mo, and Ru isotopic anomalies in iron meteorites, indicating that throughout Earth's accretion, the isotopic composition of its building blocks did not drastically change. While Earth's mantle has a similar Fe isotopic composition to CI chondrites, the latter are clearly distinct from Earth's mantle for other elements (e.g., Cr and Ni) whose delivery to Earth coincided with Fe. The fact that CI chondrites exhibit large Cr and Ni isotopic anomalies relative to Earth's mantle, therefore, demonstrates that CI chondrites are unlikely to have contributed significant Fe to Earth.",2110.06045v1 2022-01-23,Large Impacts onto the Early Earth: Planetary Sterilization and Iron Delivery,"Late accretion onto the Hadean Earth included large impacts that could have influenced early habitability, either by sterilizing the planet or alternatively catalyzing the origin of life by delivering iron required to create a reducing environment/atmosphere. We present 3D numerical simulations of 1500-3400 km diameter impacts on the early Earth in order to quantify their effects on planetary habitability. We find sterilizing impact events require larger projectiles than previously assumed, with a 2000-2700 km diameter impactor required to completely melt Earth's surface and an extrapolated >700 km diameter impactor required for ocean-vaporization. We also find that reducing environments are less likely to arise following large impacts than previously suggested, because >70% of the projectile iron is deposited in the crust and upper mantle where it is not immediately available to reduce surface water and contribute to forming a reducing atmosphere. Although the largest expected late accretion impacts (~1 lunar mass) delivered sufficient iron to the atmosphere to have reduced an entire ocean mass of water, such impacts would also have melted the entire surface, potentially sequestering condensing iron that is not oxidized quickly. The hypothesis that life emerged in the aftermath of large impacts requires an efficient mechanism of harnessing the reducing power of iron sequestered in the crust/mantle, or an origin of life pathway that operates in more weakly-reducing post-impact environments that require smaller quantities of impact-delivered iron.",2201.09349v1 2022-04-10,Effect of iron vacancies on the magnetic order and spin dynamics of the spin ladder BaFe$_{2-δ}$S$_{1.5}$Se$_{1.5}$,"Quasi-one-dimensional iron chalcogenides possess various magnetic states depending on the lattice distortion, electronic correlations, and presence of defects. We present neutron diffraction and inelastic neutron scattering experiments on the spin ladder compound BaFe$_{2-\delta}$S$_{1.5}$Se$_{1.5}$ with $\sim$6% iron vacancies. The data reveal that long-range magnetic order is absent, while the characteristic magnetic excitations that correspond to both the stripe- and block-type antiferromagnetic correlations are observed. First-principles calculations support the existence of both stripe and block-type antiferromagnetic short-range order in the experimental sample. The disappearance of long-range magnetic order may be due to the competition between these two magnetic orders, which is greatly enhanced for a certain concentration of iron vacancies, which we calculate to be about 6%, consistent with the measured iron vacancy concentration. Our results highlight how iron vacancies in the iron-based spin ladder system strongly influence the magnetic ground state.",2204.04697v1 2022-04-20,Experimental Simulations of Shock Textures in BCC Iron: Implications for Iron Meteorites,"Neumann band in iron meteorites, which is deformation twins in kamacite (Fe-Ni alloy), has been known to be a characteristic texture indicating ancient collisions on parent bodies of meteorites. We conducted a series of shock recovery experiments on bcc iron with the projectile velocity at 1.5 km/sec at various initial temperatures, room temperature, 670 K, and 1100 K, and conducted an annealing experiment on the shocked iron. We also conducted numerical simulations with the iSALE-2D code to investigate peak pressure and temperature distributions in the nontransparent targets. The effects of pressure and temperature on the formation and disappearance of the twins (Neumann band) were explored based on laboratory and numerical experiments. The twin was formed in the run products of the experiments conducted at room temperature and 670 K, whereas it was not observed in the run product formed by the impact at 1100 K. The present experiments combined with the numerical simulations revealed that the twin was formed by impacts with various shock pressures from 1.5-2 GPa to around 13 GPa. The twin in iron almost disappeared by annealing at 1070 K. The iron meteorites with Neumann bands were shocked at this pressure range and temperatures at least up to 670 K, and were not heated to the temperatures above 1070 K after the Neumann band formation.",2204.09195v1 2022-09-11,Correlation-corrected band topology and topological surface states in iron-based superconductors,"Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of iron-based superconductors using a combination of density functional theory (DFT) and dynamical mean field theory. We find that the strong electronic correlation of Fe 3d electrons plays a crucial role in determining the band topology and topological surface states of iron-based superconductors. Electronic correlation not only strongly renormalizes the bandwidth of Fe 3d electrons, but also shifts the band positions of both Fe 3d and As/Se p electrons. As a result, electronic correlation moves the DFT-calculated topological surface states of many iron-based superconductors much closer to the Fermi level, which is crucial for realizing topological superconducting surface states and observing Majorana zero modes as well as achieving practical applications, such as quantum computation. More importantly, electronic correlation can change the band topology and make some iron-based superconductors topologically nontrivial with topological surface states whereas they have trivial band topology and no topological surface states in DFT calculations. Our paper demonstrates that it is important to take into account electronic correlation effects in order to accurately determine the band topology and topological surface states of iron-based superconductors and other strongly correlated materials.",2209.04776v1 2023-04-26,Assessment of sol-gel derived iron oxide substituted 45S5 bioglass-ceramics for biomedical applications,"Magnetic bioactive glass ceramic (MGC) powders have been synthesized by sol gel route by systematically substituting silicon dioxide with iron oxide in the 45S5 glass composition. Powder x-ray diffraction studies revealed a variation in the percentage of combeite (Ca$_2$Na$_2$Si$_3$O$_9$), magnetite (Fe$_3$O$_4$), and hematite (Fe$_2$O$_3$) nanocrystalline phases in MGC powders as a function of composition. Zeta potential measurements showed that MGC containing up to 10 wt.% iron oxide formed stable suspensions. Saturation magnetization and heat generation capacity of MGC fluids increased with increase in iron oxide content. Degradation of MGC powders was investigated in phosphate buffer saline (PBS). In vitro bioactivity of the MGC powders taken in pellet form was confirmed by observing the pH variation as well as hydroxyapatite layer (HAp) formation upon soaking in modified simulated body fluid. These studies showed a decrement in overall bioactivity in samples with high iron oxide content due to the proportional decrease in silanol group. Monitoring the proliferation of MG-63 osteoblast cell in Dulbecco's Modified Eagle Medium (DMEM) revealed that MGC with up to 10 wt.% iron oxide exhibited acceptable viability. The systematic study revealed that the MGC with 10 wt.% iron oxide exhibited optimal cell viability, magnetic properties and induction heating capacity which were better than those of FluidMag-CT, which is used for hyperthermia treatment.",2304.13437v1 2023-11-02,Studying the variability of fluorescence emission and the presence of clumpy wind in HMXB GX 301$-$2 using XMM-Newton,"We present the results from an analysis of data from an \textit{XMM-Newton} observation of the accreting high mass X-ray binary pulsar GX 301$-$2. Spectral analysis in the non-flaring segment of the observation revealed that the equivalent width of the iron fluorescence emission is correlated with the observed absorption column density and the ratio of the iron K$\beta$ and K$\alpha$ line strength varied with the flux of the source. Coherent pulsations were detected with the spin period of the pulsar of 687.9$\pm$0.1 s, and a secondary pulsation was also detected with a period of 671.8$\pm$0.2 s, most prominent in the energy band of the iron line. At the spin period of the neutron star, the pulsation of the iron line has a low amplitude and the profile is different from the continuum. Pulse phase-resolved spectroscopy also revealed pulsations of the iron emission line during the non-flaring segment of the light curve. At the secondary period, both the iron line and the continuum have nearly identical pulse fraction and pulse profile. The additional periodicity can be attributed to the beat frequency between the spin of the neutron star and the Keplerian frequency of a stellar wind clump in retrograde motion around the neutron star. Reprocessed X-ray emissions originating from the clump can produce the observed secondary pulsations both in the continuum and the iron fluorescence line. The clump rotating around the neutron star is estimated to be approximately five lt-s away from the neutron star.",2311.01176v1 2019-01-15,"Dust-depletion sequences in damped Ly-α absorbers II. The composition of cosmic dust, from low-metallicity systems to the Galaxy","We aim at assessing what are the most dominant dust species or types, including silicate and iron oxide grains present in the ISM, by using recent observations of dust depletion of galaxies at various evolutionary stages. We use the observed elemental abundances in dust of several metals (O, S, Si, Mg, and Fe) in different environments, considering systems with different metallicities and dust content, namely damped Lyman-{\alpha} absorbers (DLAs) towards quasars and the Galaxy. We derive a possible dust composition by computationally finding the statistically expected elemental abundances in dust assuming a set of key dust species with the iron content as a free parameter. Carbonaceous dust is not considered in the present study. Metallic iron (likely in the form of inclusions in silicate grains) and iron oxides is an important component of the mass composition of carbon-free dust. Iron oxides make up a significant mass fraction (~1/4 in some cases) of the oxygen-bearing dust and there are good reasons to believe that metallic iron constitutes a similar mass fraction of dust. W\""ustite (FeO) could be a simple explanation for the depletion of iron and oxygen because it is easily formed. There appears to be no silicate species clearly dominating the silicate mass, but rather a mix of iron-poor as well as iron-rich olivine and pyroxene. To what extent sulphur depletion is due to sulfides remains unclear. In general, there seems to be little evolution of the dust composition (not considering carbonaceous dust) from low-metallicity systems to the Galaxy.",1901.04710v3 2023-04-28,A comparison of mechanistic models for the combustion of iron microparticles and their application to polydisperse iron-air suspensions,"Metals can serve as carbon-free energy carriers, e. g. in innovative metal-metal oxide cycles as proposed by Bergthorson (Prog. Energy Combust. Sci., 2018). Iron powder is a suitable candidate since it can be oxidized with air. Nevertheless, the combustion of iron powder in air is challenging especially with respect to flame stabilization which depends on the particle size distribution among other factors. Models for the prediction of reaction front speed in iron-air suspensions can contribute to overcoming this challenge. To this end, three different models for iron particle oxidation are integrated into a laminar flame solver for simulating reaction fronts. The scientific objective of this work is to elucidate the influence of polydispersity on the reaction front speed, which is still not satisfactorily understood. In a systematic approach, cases with successively increasing complexity are considered: From single particle combustion to iron-air suspensions prescribing binary particle size distributions (PSDs), generic PSDs, and a PSD measured for a real iron powder sample. The simulations show that, dependent on the PSD, particles undergo thermochemical conversion in a sequential manner according to their size and every particle fraction exhibits an individual combustion environment. The local environment can be leaner or richer than the overall iron-to-air ratio would suggest and can be very different from single particle experiments. The contribution of individual particle fractions to the overall reaction front speed depends on its ranking within the PSD. The study further demonstrates, that although the three particle models show good agreement for single particle combustion, they lead to very different reaction front speeds. This is due to the different ignition behavior predicted by the particle models, which is shown to strongly influence the reaction front characteristics.",2304.14927v2 1994-10-05,Influence of Cooling Flow and Galactic Motion on the Iron Distribution in Clusters of Galaxies,"Iron abundance distribution is now known for 12 clusters of galaxies. For some clusters (e.g. Centaurus) the observed abundance increases toward the cluster center, while for the others (e.g. Coma and Hydra-A) no significant inhomogeneity was observed. In order to understand this difference, we investigate the influence of cooling flow and turbulence produced by galactic motion on the iron abundance distribution by simple spherical models. We show that the cooling flow has a significant effect to flatten the iron abundance distribution if the flow velocity is sufficiently large. Further, by applying our analysis to the above clusters we show that we can give a systematic account for the observed variety of the iron abundance distribution qualitatively.",9410014v1 1999-11-19,Evolution of iron core white dwarfs,"Recent measurements made by Hipparcos (Provencal et al. 1998) present observational evidence supporting the existence of some white dwarf (WD) stars with iron - rich, core composition. In this connection, the present paper is aimed at exploring the structure and evolution of iron - core WDs by means of a detailed and updated evolutionary code. In particular, we examine the evolution of the central conditions, neutrino luminosity, surface gravity, crystallization, internal luminosity profiles and ages. We find that the evolution of iron - rich WDs is markedly different from that of their carbon - oxygen counterparts. In particular, cooling is strongly accelerated as compared with the standard case. Thus, if iron WDs were very numerous, some of them would have had time enough to evolve at lower luminosities than that corresponding to the fall - off in the observed WD luminosity function.",9911371v1 1999-11-19,"Gas, Iron and Gravitational Mass in Galaxy Clusters: The General Lack of Cluster Evolution at z < 1.0","We have analyzed the ASCA data of 29 nearby clusters of galaxies systematically, and obtained temperatures, iron abundances, and X-ray luminosities of their intracluster medium (ICM). We also estimate ICM mass using the beta model, and then evaluate iron mass contained in the ICM and derive the total gravitating mass. This gives the largest and most homogeneous information about the ICM derived only by the ASCA data. We compare these values with those of distant clusters whose temperatures, abundances, and luminosities were also measured with ASCA, and find no clear evidence of evolution for the clusters at z<1.0. Only the most distant cluster at z=1.0, AXJ2019.3+1127, has anomalously high iron abundance, but its iron mass in the ICM may be among normal values for the other clusters, because the ICM mass may be smaller than the other clusters. This may suggest a hint of evolution of clusters at z ~ 1.0.",9911388v1 1999-12-15,On the influence of resonant absorption on the iron emission line profiles from accreting black holes,"The fluorescent iron K$\alpha$ emission line profile provides an excellent probe of the innermost regions of active galactic nuclei. Fe XXV and Fe XXVI in diffuse plasma above the accretion disc can affect the X-ray spectrum by iron K$\alpha$ resonant absorption. This in turn can influence the interpretation of the data and the estimation of the accretion disc and black hole parameters. We embark on a fully relativistic computation of this effect and calculate the iron line profile in the framework of a specific model in which rotating, highly ionized and resonantly-absorbing plasma occurs close to the black hole. This can explain the features seen in the iron K$\alpha$ line profile recently obtained by Nandra et al. (1999) for the Seyfert 1 galaxy NGC 3516. We show that the redshift of this feature can be mainly gravitational in origin and accounted for without the need to invoke fast accretion of matter onto the black hole. New X-ray satellites such as XMM, ASTRO-E and Chandra provide excellent opportunities to test the model against high quality observational data.",9912321v1 2000-02-17,The Iron Project,"Recent advances in theoretical atomic physics have enabled large-scale calculation of atomic parameters for a variety of atomic processes with high degree of precision. The development and application of these methods is the aim of the Iron Project. At present the primary focus is on collisional processes for all ions of iron, Fe I- FeXXVI, and other iron-peak elements; new work on radiative processes has also been initiated. Varied applications of the Iron Project work to X-ray astronomy are discussed, and more general applications to other spectral ranges are pointed out. The IP work forms the basis for more specialized projects such as the RMaX Project, and the work on photoionization/recombination, and aims to provide a comprehensive and self-consistent set of accurate collsional and radiative cross sections, and transition probabilities, within the framework of relativistic close coupling formulation using the Breit-Pauli R-Matrix method. An illustrative example is presented of how the IP data may be utilised in the formation of X-ray spectra of the K$\alpha$ complex at 6.7 keV from He-like Fe XXV.",0002356v1 2000-09-29,X-ray iron line variability: constraints on the inner accretion disk,"After reviewing the basic physics of X-ray reflection in AGN, we present three case studies which illustrate the current state of X-ray reflection studies. For the low-luminosity AGN NGC4258, we find that the iron line is much narrower than is typically found in higher luminosity AGN. We argue that this is evidence for either a truncated cold accretion disk (possibly due to a transition to an advection dominate accretion flow at r ~ 100GM/c^2) or a large r ~ 100GM/c^2 X-ray emitting corona surrounding the accretion disk. We also present results for the higher luminosity Seyfert nuclei in NGC5548 and MCG-6-30-15. In both of these sources, RXTE shows that the iron line equivalent width decreases with increasing luminosity. Furthermore, the iron line equivalent width is found to be anticorrelated with the relative strength of the reflection continuum, contrary to all simple reflection models. It is proposed that continuum-flux correlated changes in the ionization of the accretion disk surface can explain this spectral variability. Finally, we address the issue of X-ray iron line reverberation in the light of these complicating factors.",0009503v1 2001-06-27,An Empirical Ultraviolet Iron Spectrum Template Applicable to Active Galaxies,"Iron emission is often a severe contaminant in optical-ultraviolet spectra of active galaxies. Its presence complicates emission line studies. A viable solution, already successfully applied at optical wavelengths, is to use an empirical iron emission template. We have generated FeII and FeIII templates for ultraviolet active galaxy spectra based on HST archival 1100 - 3100 A spectra of IZw1. Their application allows fitting and subtraction of the iron emission in active galaxy spectra. This work has shown that in particular CIII] lambda 1909 can be heavily contaminated by other line emission, including iron transitions. Details of the data processing, generation, and use of the templates, are given by Vestergaard & Wilkes (2001).",0106510v1 2002-02-01,Temperature Scale and Iron Abundances of Very Hot Central Stars of Planetary Nebulae,"The determination of effective temperatures of very hot central stars (Teff>70000K) by model atmosphere analyses of optical H and He line profiles is afflicted with considerable uncertainty, primarily due to the lack of neutral helium lines. Ionization balances of metals, accessible only with UV lines, allow more precise temperature estimates. The potential of iron lines is pointed out. At the same time iron and other metal abundances, hardly investigated until today, may be derived from UV spectra. We describe recent HST spectroscopy performed for this purpose. A search for iron lines in FUV spectra of the hottest H-deficient central stars (PG1159-type, Teff>100000K) taken with FUSE was unsuccessful. The derived deficiency is interpreted in terms of iron depletion due to n-capture nucleosynthesis in intershell matter, which is now exposed at the stellar surface as a consequence of a late He shell flash.",0202012v1 2002-03-14,Cerenkov Line Emission as a Possible Mechanism of X-ray Lines in Gamma-ray Bursts,"The recent discoveries of X-ray lines in the afterglows of gamma-ray bursts (GRBs) provide significant clues to the nature of GRB progenitors and central environments. However, the iron line interpretation by fluorescence or recombination mechanism requires a large amount of iron material. We argue that the very strong iron line could be attributed to an alternative mechanism: Cerenkov line emission since relativistic electrons and dense medium exist near GRB sites. Therefore, the broad iron lines are expected, and line intensity will be nearly independent of the iron abundance, the medium with the anomalously high Fe abundance is not required.",0203222v2 2003-05-13,Iron and Nickel properties in the X-ray reflecting region of the Circinus Galaxy,"We discuss the iron and nickel properties in the nuclear X-ray reflecting region of the Circinus Galaxy, studied with XMM-Newton. The main results are: a) from the depth of the Fe Kalpha edge, a value of A_Fe=1.7 in number with respect to the cosmic value (as for Anders & Grevesse 1989) is measured, if the (not directly visible) illuminating spectrum is assumed to be that measured by BeppoSAX. If the slope of the primary power law is left free to vary, a steeper spectrum and a lower iron abundance (about 1.2) are found. b) From the Ni to Fe Kalpha lines flux ratio, a nickel-to-iron abundance ratio of 0.055-0.075 is found. c) The Fe Kbeta/Kalpha flux ratio is slightly lower than expected, possibly due to a mild ionization of iron (which however cannot be much more ionized than X). d) The presence of the Fe Kalpha Compton Shoulder, already discovered by Chandra, is confirmed, its relative flux implying Compton-thick matter. This further supports the identification of the reflecting region with the absorber.",0305217v1 2003-06-25,Iron K features in the hard X-ray XMM-Newton spectrum of NGC 4151,"Recent XMM-Newton observations have measured the hard (2.5-12 keV) X-ray spectrum of the well-known Seyfert galaxy NGC 4151 with a signal-to-noise unprecedented for this source. We find that a spectral model, developed to fit previous Beppo-SAX and ASCA observations of NGC 4151, provides an excellent description of the XMM-Newton EPIC data. The results support the view that it is the level of the continuum that is the main driver of the complex spectral variability exhibited by NGC 4151. We focus on the iron K features in the NGC 4151 spectrum. There is no requirement for a relativistically broadened iron Ka line, in contrast to several earlier studies. The iron Ka line profile is well modelled by a narrow Gaussian, the intensity of which varies by ~25% on timescales of about a year. There is also a strong suggestion that the cold media present in the active nucleus of NGC 4151 have an iron abundance that is at least twice the solar value.",0306540v1 2003-08-11,Theoretical UBVRI colors of iron core white dwarfs,"We explore photometric properties of hypothetical iron core white dwarfs and compute their expected colors in UBVRI Johnson broadband system. Atmospheres of iron core WDs in this paper consist of pure iron covered by a pure hydrogen layer of an arbitrary column mass. LTE model atmospheres and theoretical spectra are calculated on the basis of Los Alamos TOPS opacities and the equation of state from the OPAL project, suitable for nonideal Fe and H gases. We have also computed UBVRI colors of the models and determined an area on the B-V vs. U-B and U-B vs. V-I planes, occupied by both pure Fe, and pure H model atmospheres of WD stars. Finally, we search for iron core white dwarf candidates in the available literature.",0308184v2 2006-09-12,Discoveries of Diffuse Iron Line Sources from the Sgr B Region,"The radio complex Sgr B region is observed with the X-Ray Imaging Spectrometers (XIS) on board Suzaku. This region exhibits diffuse iron lines at 6.4, 6.7 and 6.9 keV, which are K$\alpha$ lines of Fe \emissiontype{I} (neutral iron), Fe\emissiontype{XXV} (He-like iron) and Fe\emissiontype{XXVI} (H-like iron), respectively. The high energy resolving power of the XIS provides the separate maps of the K-shell transition lines from Fe\emissiontype{I} (6.4 keV) and Fe\emissiontype{XXV} (6.7 keV). Although the 6.7 keV line is smoothly distributed over the Sgr B region, a local excess is found near at $(l, b) = (\timeform {0D.61}, \timeform{0D.01})$, possibly a new SNR. The plasma temperature is \textit{kT} $\sim$3 keV and the age is estimated to be around several$\times10^{3}$ years. The 6.4 keV image is clumpy with local excesses nearby Sgr B2 and at $(l, b) = (\timeform{0D.74}, -\timeform{0D.09})$. Like Sgr B2, this excess may be another candidate of an X-ray reflection nebula (XRN).",0609310v1 2006-07-08,Magnetic Magnetoelectric and Magnetoelastic Properties of new multiferroic material NdFe3(BO3)4,"Complex experimental and theoretical study of the magnetic, magnetoelectric, and magnetoelastic properties of neodymium iron borate NdFe3(BO3)4 along various crystallographic directions have been carried out in strong pulsed magnetic fields up to 230 kOe in a temperature range of 4.2-50 K. It has been found that neodymium iron borate, as well as gadolinium iron borate, is a multiferroic. It has much larger (above 3 10^(-4) C/m^2) electric polarization controlled by the magnetic field and giant quadratic magnetoelectric effect. The exchange field between the rare-earth and iron subsystems (~50 kOe) has been determined for the first time from experimental data. The theoretical analysis based on the magnetic symmetry and quantum properties of the Nd ion in the crystal provides an explanation of an unusual behavior of the magnetoelectric and magnetoelastic properties of neodymium iron borate in strong magnetic fields and correlation observed between them.",0607217v1 2005-09-14,Role of proton irradiation and relative air humidity on iron corrosion,"This paper presents a study of the effects of proton irradiation on iron corrosion. Since it is known that in humid atmospheres, iron corrosion is enhanced by the double influence of air and humidity, we studied the iron corrosion under irradiation with a 45% relative humidity. Three proton beam intensities (5, 10 and 20 nA) were used. To characterise the corrosion layer, we used ion beam methods (Rutherford Backscattering Spectrometry (RBS), Elastic Recoil Detection Analysis (ERDA)) and X-ray Diffraction (XRD) analysis. The corrosion kinetics are plotted for each proton flux. A diffusion model of the oxidant species is proposed, taking into account the fact that the flux through the surface is dependent on the kinetic factor K. This model provides evidence for the dependence of the diffusion coefficient, D, and the kinetic factor, K, on the proton beam intensity. Comparison of the values for D with the diffusion coefficients for thermal oxygen diffusion in iron at 300 K suggests an enhancement due to irradiation of 6 orders of magnitude.",0509116v1 2005-09-14,Origin of the hydrogen involved in iron corrosion under irradiation,"In the perspective of long term geological storage, high level nuclear wastes will be overpacked in low carbon steel containers. In that context, we have studied the influence of oxygen dissolved in water on iron corrosion. Therefore, leaching experiments were performed in desaerated D$\_2$O and in aerated H$\_2$O and a kinetic study of iron corrosion under proton irradiation was lead in aqueous media with two different dissolved oxygen concentrations. The leaching experiments underline the major role of dissolved oxygen in oxydoreduction reactions which take place as far as iron is in contact with water. But the kinetic study of iron corrosion under irradiation put in evidence the balance between the oxydoreduction reactions and the corrosion rate induced by radicals species generated by water radiolysis. In addition, to check if, in the atomic % concentration range, hydrogen diffuse from the air/Fe interface through the foil an irradiation experiment was performed in argon. It proved that no hydrogen permeation occurs at a concentration level of the atomic percent.",0509117v1 2005-09-14,Use ion beam techniques to study the coupling between air and its relative humidity on iron corrosion under irradiation,"In this paper, the role of air humidity on the iron corrosion under irradiation is studied in the context of geological disposal of nuclear wastes. The irradiation experiments are performed at room temperature using a 3 MeV extracted proton beam with a 10 nA intensity. Different atmospheres are studied: Humid air with a relative humidity (RH) fixed at 45 %, dry air and a $^{15}N\_2$ atmosphere (45% RH). The hydrogen and oxygen distribution profiles at the iron surface in contact with atmosphere are measured by using respectively ERDA (Elastic Recoil Detection Analysis) and RBS (Rutherford Backscattering Spectrometry) analysis. From these experiments it is clearly demonstrated that the coupling of O$\_2$+H$\_2$O enhances iron oxidation whereas for iron hydrogenation, humidity is sufficient whatever the atmosphere. An interpretation is given, which is based on the reaction mechanisms and the species formed by air ionisation.",0509120v1 2007-10-25,Nuclear PDFs from neutrino deep inelastic scattering,"We study nuclear effects in charged current deep inelastic neutrino-iron scattering in the frame-work of a chi^2 analysis of parton distribution functions. We extract a set of iron PDFs and show that under reasonable assumptions it is possible to constrain the valence, light sea and strange quark distributions. Our iron PDFs are used to compute x_{Bj}-dependent and Q^2-dependent nuclear correction factors for iron structure functions which are required in global analyses of free nucleon PDFs. We compare our results with nuclear correction factors from neutrino-nucleus scattering models and correction factors for charged lepton-iron scattering. We find that, except for very high x_{Bj}, our correction factors differ in both shape and magnitude from the correction factors of the models and charged-lepton scattering.",0710.4897v2 2007-10-25,Topology of the Spin-polarized Charge Density in bcc and fcc Iron,"We investigate the topology of the spin-polarized charge density in bcc and fcc iron. While the total spin-density is found to possess the topology of the non-magnetic prototypical structures, in some cases the spin-polarized densities are characterized by unique topologies; for example, the spin-polarized charge densities of bcc and high-spin fcc iron are atypical of any known for non-magnetic materials. In these cases, the two spin-densities are correlated: the spin-minority electrons have directional bond paths with deep minima in the minority density, while the spin-majority electrons fill these holes, reducing bond directionality. The presence of two distinct spin topologies suggests that a well-known magnetic phase transition in iron can be fruitfully reexamined in light of these topological changes. We show that the two phase changes seen in fcc iron (paramagnetic to low-spin and low-spin to high-spin) are different. The former follows the Landau symmetry-breaking paradigm and proceeds without a topological transformation, while the latter also involves a topological catastrophe.",0710.4942v2 2007-11-19,XMM-Newton and Broad Iron Lines,"Iron line emission is common in the X-ray spectra of accreting black holes. When the line emission is broad or variable then it is likely to originate from close to the black hole. X-ray irradiation of the accretion flow by the power-law X-ray continuum produces the X-ray 'reflection' spectrum which includes the iron line. The shape and variability of the iron lines and reflection can be used as a diagnostic of the radius, velocity and nature of the flow. The inner radius of the dense flow corresponds to the innermost stable circular orbit and thus can be used to determine the spin of the black hole. Studies of broad iron lines and reflection spectra offer much promise for understanding how the inner parts of accretion flows (and outflows) around black holes operate. There remains great potential for XMM-Newton to continue to make significant progress in this work. The need for high quality spectra and thus for long exposure times is paramount.",0711.2976v1 2008-03-26,Supernova progenitors and iron density evolution from SN rate evolution measurements,"Using an extensive compilation of literature supernova rate data we study to which extent its evolution constrains the star formation history, the distribution of the type Ia supernova (SNIa) progenitor's lifetime, the mass range of core-collapse supernova (CCSN) progenitors, and the evolution of the iron density in the field. We find that the diagnostic power of the cosmic SNIa rate on their progenitor model is relatively weak. More promising is the use of the evolution of the SNIa rate in galaxy clusters. We find that the CCSN rate is compatible with a Salpeter IMF, with a minimum mass for their progenitors > 10 Msun. We estimate the evolution in the field of the iron density released by SNe and find that in the local universe the iron abundance should be ~ 0.1 solar. We discuss the difference between this value and the iron abundance in clusters.",0803.3793v2 2008-07-01,"Light matter in the core of the Earth: its identity, quantity and temperature using tricritical phenomena","Light elements in the iron-rich core of the Earth are important indicators for the evolution of our planet. Their amount and distribution, and the temperature in the core, are essential for understanding how the core and the mantle interact and for modelling the geodynamo which generates the planetary magnetic field. However, there is a longstanding controversy surrounding the identity and quantity of the light elements. Here, the theory of tricritical phenomena is employed as a precise theoretical framework to study solidification at the high pressures and temperatures where both experimental and numerical methods are complicated to implement and have large uncertainties in their results. Combining the theory with the most reliable iron melting data and the Preliminary Reference Earth Model (PREM) seismic data, one obtains the solidification temperature at the inner core boundary (ICB) for both pure iron and for the alloy of iron and light elements in the actual core melt. One also finds a value of about 2.5 mole% for the amount of light matter. In addition, the density of both solid and liquid pure iron at its melting temperature is found. This allows one to obtain the density of the light matter and thus to identify it to be MgSiO3.",0807.0187v1 2008-08-15,Relativistic Iron Line Emission from the Neutron Star Low-mass X-ray Binary 4U 1636-536,"We present an analysis of XMM-Newton and RXTE data from three observations of the neutron star LMXB 4U 1636-536. The X-ray spectra show clear evidence of a broad, asymmetric iron emission line extending over the energy range 4-9 keV. The line profile is consistent with relativistically broadened Fe K-alpha emission from the inner accretion disk. The Fe K-alpha line in 4U 1636-536 is considerably broader than the asymmetric iron lines recently found in other neutron star LMXBs, which indicates a high disk inclination. We find evidence that the broad iron line feature is a combination of several K-alpha lines from iron in different ionization states.",0808.2214v2 2009-02-11,Temperature of the inner-core boundary of the Earth: Melting of iron at high pressure from first-principles coexistence simulations,"The Earth's core consists of a solid ball with a radius of 1221 Km, surrounded by a liquid shell which extends up to 3480 Km from the centre of the planet, roughly half way towards the surface (the mean radius of the Earth is 6373 km). The main constituent of the core is iron, and therefore the melting temperature of iron at the pressure encountered at the boundary between the solid and the liquid (the ICB) provides an estimate of the temperature of the core. Here I report the melting temperature of Fe at pressures near that of the ICB, obtained with first principles techniques based on density functional theory. The calculations have been performed by directly simulating solid and liquid iron in coexistence, and show that and at a pressure of $\sim 328$ GPa iron melts at $\sim 6370\pm 100$ K. These findings are in good agreement with earlier simulations, which used exactly the same quantum mechanics techniques, but obtained melting properties from the calculation of the free energies of solid and liquid Fe",0902.1831v1 2009-05-23,Kinetic Magnetism and Orbital Order in Iron Telluride,"Iron telluride (FeTe), a relative of the iron based high temperature superconductors, displays unusual magnetic order and structural transitions. Here we explore the idea that strong correlations may play an important role in these materials. We argue that the unusual orders observed in FeTe can be understood from a picture of correlated local moments with orbital degeneracy, coupled to a small density of itinerant electrons. A component of the structural transition is attributed to orbital, rather than magnetic ordering, introducing a strongly anisotropic character to the system along the diagonal directions of the iron lattice. Double exchange interactions couple the diagonal chains leading to the observed ordering wavevector. The incommensurate order in samples with excess iron arises from electron doping in this scenario. The strong anisotropy of physical properties in the ordered phase should be detectable by transport in single domains. Predictions for ARPES, inelastic neutron scattering and hole/electron doping studies are also made.",0905.3782v1 2009-07-02,Moessbauer spectroscopy evidence for the lack of iron magnetic moment in superconducting FeSe,"Superconducting FeSe has been investigated by measurements of the magnetic susceptibility versus temperature and Moessbauer spectroscopy at various temperatures including strong external magnetic fields applied to the absorber. It was found that isomer shift exhibits sharply defined increase at about 105 K leading to the lowering of the electron density on iron nucleus by 0.02 electron/a.u.^3. Above jump in the electron density is correlated with the transition from the P4/nmm to the Cmma structure, while decreasing temperature. Moessbauer measurements in the external magnetic field and for temperatures below transition to the superconducting state revealed null magnetic moment on iron atoms. Hence, the compound exhibits either Pauli paramagnetism or diamagnetic behavior. The principal component of the electric field gradient on the iron nucleus was found as negative on the iron site.",0907.0383v2 2010-06-19,High resolution spectroscopic study of red clump stars in the Galaxy: iron group elements,"The main atmospheric parameters and abundances of the iron group elements (vanadium, chromium, iron, cobalt and nickel) are determined for 62 red giant ""clump"" stars revealed in the Galactic field by the Hipparcos orbiting observatory. The stars form a homogeneous sample with the mean value of temperature T=4750 +- 160K, of surface gravity log g = 2.41 +- 0.26 and the mean value of metallicity [Fe/H] = -0.04 +- 0.15 dex. A Gaussian fit to the [Fe/H] distribution produces the mean [Fe/H] = -0.01 dex and dispersion of [Fe/H] = 0.08 dex. The near-solar metallicity and small dispersion of [Fe/H] of clump stars of the Galaxy obtained in this work confirm the theoretical model of the Hipparcos clump by Girardi & Salaris (2001). This suggests that nearby clump stars are (in the mean) relatively young objects, reflecting mainly the near-solar metallicities developed in the local disk during the last few Gyrs of its history. We find iron group element to iron abundance ratios in clump giants to be close to solar.",1006.3857v1 2010-07-19,Can an underestimation of opacity explain B-type pulsators in the SMC?,"Slowly Pulsating B and $\beta$ Cephei are $\kappa$ mechanism driven pulsating B stars. That $\kappa$ mechanism works since a peak in the opacity due to a high number of atomic transitions from iron-group elements occurs in the area of $\log T \approx 5.3$. Theoretical results predict very few SPBs and no $\beta$ Cep to be encountered in low metallicity environments such as the Small Magellanic Cloud. However recent variability surveys of B stars in the SMC reported the detection of a significant number of SPB and $\beta$ Cep candidates. Though the iron content plays a major role in the excitation of $\beta$ Cep and SPB pulsations, the chemical mixture representative of the SMC B stars such as recently derived does not leave room for a significant increase of the iron abundance in these stars. Whilst abundance of iron-group elements seems reliable, is the opacity in the iron-group elements bump underestimated? We determine how the opacity profile in B-type stars should change to excite SPB and $\beta$ Cep pulsations in early-type stars of the SMC.",1007.3088v1 2010-11-12,"Spin waves in the $(π,0)$ magnetically ordered iron chalcogenide Fe$_{1.05}$Te","We use inelastic neutron scattering to show that the spin waves in the iron chalcogenide Fe$_{1.05}$Te display novel dispersion clearly different from those in the related iron pnictide systems. By fitting the spin waves to a Heisenberg Hamiltonian, we extract magnetic exchange couplings that are dramatically different from both predictions by density functional calculations and measurements on the iron pnictide CaFe$_2$As$_2$. While the nearest-neighbor exchange couplings in CaFe$_2$As$_2$ and Fe$_{1.05}$Te are quite different, their next-nearest-neighbor exchange couplings are similar. These results suggest that superconductivity in the pnictides and chalcogenides share a common magnetic origin that is intimately associated with the next-nearest-neighbor magnetic coupling between the irons.",1011.2930v2 2010-12-02,Interstitial Iron Controlled Superconductivity in Fe1+xTe0.7Se0.3,"The superconducting series, Fe(Te,Se), has a complex structural and magnetic phase diagram that is dependent on composition and occupancy of a secondary interstitial Fe site. In this letter, we show that superconductivity in Fe1+xTe0.7Se0.3 can be enhanced by topotactic deintercalation of the interstitial iron, demonstrating the competing roles of the two iron sites. Neutron diffraction reveals a flattening of the Fe(Te,Se)4 tetrahedron on Fe removal of iron and an increase in negative thermal expansion within the ab plane that correlates with increased lattice strain. Inelastic neutron scattering shows that a gapped excitation at 6 meV, evolves into gapless paramagnetic scattering with increasing iron; similar to the fluctuations observed for non-superconducting Fe1+xTe itself.",1012.0590v1 2010-12-31,Binary and nonbinary description of hypointensity in human brain MR images,"Accumulating evidence has shown that iron is involved in the mechanism underlying many neurodegenerative diseases, such as Alzheimer's disease, Parkinson's disease and Huntington's disease. Abnormal (higher) iron accumulation has been detected in the brains of most neurodegenerative patients, especially in the basal ganglia region. Presence of iron leads to changes in MR signal in both magnitude and phase. Accordingly, tissues with high iron concentration appear hypo-intense (darker than usual) in MR contrasts. In this report, we proposed an improved binary hypointensity description and a novel nonbinary hypointensity description based on principle components analysis. Moreover, Kendall's rank correlation coefficient was used to compare the complementary and redundant information provided by the two methods in order to better understand the individual descriptions of iron accumulation in the brain.",1101.0242v1 2011-01-25,Quantum criticality in the iron pnictides and chalcogenides,"Superconductivity in the iron pnictides and chalcogenides arises at the border of antiferromagnetism, which raises the question of the role of quantum criticality. In this topical review, we describe the theoretical work that led to the prediction for a magnetic quantum critical point arising out of a competition between electronic localization and itinerancy, and the proposal for accessing it by using isoelectronic P substitution for As in the undoped iron pnictides. We go on to compile the emerging experimental evidence in support of the existence of such a quantum critical point in isoelectronically-tuned iron pnictides. We close by discussing the implications of these results for the physics of the iron pnictides and chalcogenides.",1101.4701v1 2011-02-22,Magneto-elastic quantum fluctuations and phase transitions in the iron superconductors,"We examine the relevance of magneto-elastic coupling to describe the complex magnetic and structural behaviour of the different classes of the iron superconductors. We model the system as a two-dimensional metal whose magnetic excitations interact with the distortions of the underlying square lattice. Going beyond mean field we find that quantum fluctuation effects can explain two unusual features of these materials that have attracted considerable attention. First, why iron telluride orders magnetically at a non-nesting wave-vector $(\pi/2, \pi/2)$ and not at the nesting wave-vector $(\pi, 0)$ as in the iron arsenides, even though the nominal band structures of both these systems are similar. And second, why the $(\pi, 0)$ magnetic transition in the iron arsenides is often preceded by an orthorhombic structural transition. These are robust properties of the model, independent of microscopic details, and they emphasize the importance of the magneto-elastic interaction.",1102.4622v2 2012-12-05,Progress in wire fabrication of iron-based superconductors,"Iron-based superconductors, with Tc values up to 55 K, are of great interest for applications, due to their lower anisotropies and ultrahigh upper critical fields. In the past 4 years, great progress has been made in the fabrication of iron-based superconducting wires and tapes using the powder-in-tube (PIT) processing method, including main three types of 122, 11, and 1111 iron-based parent compounds. In this article, an overview of the current state of development of iron-based superconducting wires and tapes is presented. We focus on the fabrication techniques used for 122 pnictide wires and tapes, with an emphasis on their meeting the critical current requirements for making high-performance conductors, such as a combination of using Ag sheath, addition element and optimized heat treatment to realize high Jc, ex situ process employed to reduce non-superconducting phases and to obtain a high relative density, and a texture control to improve grain connectivity. Of particular interest is that so far transport Jc values above 10^4 A/cm^2 at 4.2 K and 10 T are obtained in 122 type tapes, suggesting that they are prospective candidates for high-field applications. Finally, a perspective and future development of PIT pnictide wires are also given.",1212.1207v1 2013-05-30,Searching for the missing iron in the core of the Centaurus cluster,"We re-analyse a combined 198 ks Chandra observation of NGC4696, the brightest galaxy of the Centaurus cluster. We extract temperature and metallicity profiles from the data, and we confirm the presence of a sharp drop in iron abundance, from ~1.8 Zsolar to ~0.4 Zsolar, within the central 5 kpc of the cluster. We estimate that this abundance drop corresponds to a total ""missing"" iron mass of 1.4e06 Msolar. We propose that part of this missing iron is locked up in cool (~19 K) far-IR emitting dust, as found by Spitzer and Herschel observations. This can occur if the iron injected by stellar mass loss in the central region is in grains, which remain in that form as the injected dusty cold gas mixes and joins the cold dusty filamentary nebula observed within the same region. The bubbling feedback process observed in the cluster core then drags filaments outward and dumps them at 10-20 kpc radius, where the metallicity is high.",1305.7046v3 2013-08-13,The unique electronic structure of Ca10(Pt4As8)(Fe2-xPtxAs2)5 with metallic Pt4As8 layers,"We studied the low-lying electronic structure of the newly discovered iron-platinum-arsenide superconductor, Ca10(Pt4As8)(Fe2-xPtxAs2)5 (Tc=22 K) with angle-resolved photoemission spectroscopy. We found that the Pt4As8 layer contributes to a small electron-like Fermi surface, indicative of metallic charge reservoir layers that are rare for iron based superconductors. Moreover, the electronic structure of the FeAs-layers resembles those of other prototype iron pnictides to a large extent. However, there is only dxy-orbital originated hole-like Fermi surface near the zone center, which is rather unique for an iron pnictide superconductor with relatively high superconducting transition temperature; and the dxz and dyz originated bands are not degenerate at the zone center. Furthermore, all bands near the Fermi energy show negligible kz dependence, indicating the strong two-dimensional nature of this material. Our results indicate this material possesses rather unique electronic structure, which enriches our current knowledge of iron based superconductors.",1308.3105v1 2013-12-03,Disk emission and atmospheric absorption lines in black hole candidate 4U 1630-472,"We re-analyzed SUZAKU data of the black hole candidate 4U 1630-472 being in the high/soft state. We show that the continuum X-ray spectrum of 4U 1630-472 with iron absorption lines can be satisfactorily modeled by the spectrum from an accretion disk atmosphere. Absorption lines of highly ionized iron originating in hot accretion disk atmosphere can be an alternative or complementary explanation to the wind model usually favored for these type of sources. We model continuum and line spectra using a single model. Absorption lines of highly ionized iron can origin in upper parts of the disk atmosphere which is intrinsically hot due to high disk temperature. Iron line profiles computed with natural, thermal and pressure broadenings match very well observations. We showed that the accretion disk atmosphere can effectively produce iron absorption lines observed in 4U 1630-472 spectrum. Absorption line arising in accretion disk atmosphere is the important part of the observed line profile, even if there are also other mechanisms responsible for the absorption features. Nevertheless, the wind theory can be an artifact of the fitting procedure, when the continuum and lines are fitted as separate model components.",1312.0922v1 2014-05-22,Electronic structure of iron-based superconductors: from pnictides to chalcogenides and other similar systems,"This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2, which is isostructural to BaFe_2As_2 (122) pnictide. It is shown, that Fermi surfaces of K_{1-x}Fe_{2-y}Se_2 are essentially different from those for pnictides. Using LDA+DMFT and LDA'+DMFT calculations we show, that electronic correlations in K_{1-x}Fe_{2-y}Se_2 influence the electronic structure much more significantly, than in the most studied 122 system. We also discuss the electronic structure of several multiple-band superconductors, chemically similar to iron-based HTSC, with relatively small values of $T_c$, such as SrPt_{2}As_{2}, APt_{3}P, (Sr,Ca)Pd_2As_2, and non superconducting compound BaFe_2Se_3. It is shown, that electronic structure of these systems is very different from previously studies iron pnictides and chalcogenides. The value of T_c in these systems can be understood within the simple BCS model.",1405.5677v1 2014-05-26,Dynamic transition in supercritical iron,"Recent advance in understanding the supercritical state posits the existence of a new line above the critical point separating two physically distinct states of matter: rigid liquid and non-rigid gas-like fluid. The location of this line, the Frenkel line, remains unknown for important real systems. Here, we map the Frenkel line on the phase diagram of supercritical iron using molecular dynamics simulations. On the basis of our data, we propose a general recipe to locate the Frenkel line for any system, the recipe that importantly does not involve system-specific detailed calculations and relies on the knowledge of the melting line only. We further discuss the relationship between the Frenkel line and the metal-insulator transition in supercritical liquid metals. Our results enable predicting the state of supercritical iron in several conditions of interest. In particular, we predict that liquid iron in the Jupiter core is in the ""rigid liquid"" state and is highly conducting. We finally analyse the evolution of iron conductivity in the core of smaller planets such as Earth and Venus as well as exoplanets: as planets cool off, the supercritical core undergoes the transition to the rigid-liquid conducting state at the Frenkel line.",1405.6491v1 2014-06-13,Effect of dopants on thermal stability and self-diffusion in iron nitride thin films,"We studied the effect of dopants (Al, Ti, Zr) on the thermal stability of iron nitride thin films prepared using a dc magnetron sputtering technique. Structure and magnetic characterization of deposited samples reveal that the thermal stability together with soft magnetic properties of iron nitride thin films get significantly improved with doping. To understand the observed results, detailed Fe and N self-diffusion measurements were performed. It was observed that N self-diffusion gets suppressed with Al doping whereas Ti or Zr doping results in somewhat faster N diffusion. On the other hand Fe self-diffusion seems to get suppressed with any dopant of which heat of nitride formation is significantly smaller than that of iron nitride. Importantly, it was observed that N self-diffusion plays only a trivial role, as compared to Fe self-diffusion, in affecting the thermal stability of iron nitride thin films. Based on the obtained results effect of dopants on self-diffusion process is discussed.",1406.3446v1 2014-06-14,Emergence of magnetism and controlling factors of superconductivity in Li/Na-ammonia co-intercalated FeSe1-zTez,"The discovery of superconductivity in alkali-ammonia co-intercalated FeSe has generated intensive interest because of their highest Tc (~ 45 K) among iron-chalcogenide superconductors with bulk form. Here, we report the phase diagrams of two series of Li/Na-ammonia co-intercalated FeSe1-zTez. When superconductivity is suppressed by Te doping, the magnetic ordering states are emergent. Moreover, a novel phase Lix(NH3)yFe2-{\delta}Te2 with possible antiferromagnetism is discovered. This strongly indicates the intimate relation between superconductivity and magnetism in these materials, like in other iron-based superconductors. On the other hand, comparative structure analysis with FeSe1-zTez suggests that although there is remarkable similarity in phase diagrams for both iron-chalcogenide and iron-pnictide superconductors, the different types of anions with different charges lead to the dissimilar controlling factors in superconductivity for both classes of materials. This opens up an opportunity to tune the superconductivity in iron-chalcogenide superconductors in more ways than just one.",1406.3733v2 2014-07-18,Magnetism and Superconductivity in Iron-based Superconductors Decided by Condensed Particle-hole Excitations away from the Fermi Level,"The origin of magnetism and superconductivity in iron-based superconductors is still unclear. Here, by investigating the momentum-dependent particle-hole excitations which quantify the tendency of itinerant electrons towards various magnetic states or superconducting phases, we unravel a novel origin to account for the variety of physical properties of iron-based compounds. We show that condensation of particle-hole excitations away from the Fermi surface in momentum space is the underlying mechanism in deciding the magnetic and superconducting properties of iron-based materials. The applicability of this scenario to the whole family of iron-based superconductors suggests that inclusion of the orbital degrees of freedom, which may lead to competing tendencies towards different magnetically ordered states, is more crucial than taking into account the strong correlations. Our findings further indicate that in order to properly model these materials, the electronic states away from the Fermi level have to be considered.",1407.4888v1 2015-01-08,The origin of the spurious iron spread in the globular cluster NGC 3201,"NGC 3201 is a globular cluster suspected to have an intrinsic spread in the iron content. We re-analysed a sample of 21 cluster stars observed with UVES-FLAMES at the Very Large Telescope and for which Simmerer et al. found a 0.4 dex wide [Fe/H] distribution with a metal-poor tail. We confirmed that when spectroscopic gravities are adopted, the derived [Fe/H] distribution spans ~0.4 dex. On the other hand, when photometric gravities are used, the metallicity distribution from Fe I lines remains large, while that derived from Fe II lines is narrow and compatible with no iron spread. We demonstrate that the metal-poor component claimed by Simmerer et al. is composed by asymptotic giant branch stars that could be affected by non local thermodynamical equilibrium effects driven by iron overionization. This leads to a decrease of the Fe I abundance, while leaving the Fe II abundance unaltered. A similar finding has been already found in asymptotic giant branch stars of the globular clusters M5 and 47 Tucanae. We conclude that NGC 3201 is a normal cluster, with no evidence of intrinsic iron spread.",1501.01968v1 2015-03-08,Antiferromagnetic order and spin dynamics in iron-based superconductors,"High-transition temperature (high-$T_c$) superconductivity in the iron pnictides/chalcogenides emerges from the suppression of the static antiferromagnetic order in their parent compounds, similar to copper oxides superconductors. This raises a fundamental question concerning the role of magnetism in the superconductivity of these materials. Neutron scattering, a powerful probe to study the magnetic order and spin dynamics, plays an essential role in determining the relationship between magnetism and superconductivity in high-$T_c$ superconductors. The rapid development of modern neutron time-of-flight spectrometers allows a direct determination of the spin dynamical properties of iron-based superconductors throughout the entire Brillouin zone. In this review, we present an overview of the neutron scattering results on iron-based superconductors, focusing on the evolution of spin excitation spectra as a function of electron/hole-doping and isoelectronic substitution. We compare spin dynamical properties of iron-based superconductors with those of copper oxide and heavy fermion superconductors, and discuss the common features of spin excitations in these three families of unconventional superconductors and their relationship with superconductivity.",1503.02340v2 2015-09-05,Iron abundance in the atmosphere of Arcturus,"Abundance of iron in the atmosphere of Arcturus has been determined from the profiles or regions of the profiles of the weak lines sensitive to iron abundance. The selected lines of Fe I and Fe II were synthesized with the MARCS theoretical models of the atmosphere. From the observed profiles of lines available with a high spectral resolution in the atlas by Hinkle and Wallace (2005), the values of the iron abundance $A = 6.95 \pm 0.03$ and the radial-tangential macroturbulent velocity $5.6 \pm 0.2$ km/s were obtained for Arcturus. The same physical quantities were found for the Sun as a star; they are $7.42 \pm 0.02$ and $3.4 \pm 0.3$ km/s, respectively. For Arcturus, the iron abundance relative to the solar one was determined with the differential method as [Fe/H] $=-0.48 \pm 0.02$.",1509.01700v1 2015-10-22,Internal structure of Pluto and Charon with an iron core,"Pluto has been observed by the New Horizons space probe to have some relatively fresh ice on the old ices covering most of the surface. Pluto was thought to consist of only a rocky core below the ice. Here I show that Pluto can have an iron core, as can also its companion Charon, which has recently been modelled to have one. The presence of an iron core means the giant impact origin calculations should be redone to include iron and thus higher temperatures. An iron core leads to the possibility of a different geology. An originally molten core becomes solid later, with contraction and a release of latent heat. The space vacated allows the upper rock layers to flow downwards at some locations at the surface of the core, and some of the ice above the rock to descend, filling the spaces left by the rock motion downwards. These phenomena can lead to the forces recently deforming the icy surface of Pluto, and in a lesser way, of Charon.",1510.06604v1 2016-01-05,Testing the Kerr nature of black hole candidates using iron line reverberation mapping in the CPR framework,"The iron K$\alpha$ line commonly observed in the X-ray spectrum of black hole candidates is produced by X-ray fluorescence of the inner accretion disk. This line can potentially be quite a powerful tool to probe the spacetime geometry around these objects and test the Kerr black hole hypothesis. In a previous paper, we studied the ability to constrain possible deviations from the Kerr solution from the standard time-integrated iron line spectrum within the Cardoso-Pani-Rico framework. In the present work, we expand on that study and consider iron line reverberation mapping in the CPR framework. That is, we consider the time-evolution of the iron line profile in response to fluctuations in the X-ray primary source. Our simulations clearly show that the time information in reverberation mapping can better constrain the background metric than the time-integrated approach, and this is true, notably, for the deformation parameter $\epsilon^r_3$, which is only weakly informed by a time-integrated observation.",1601.00838v2 2016-01-27,Particle-Hole Transformation in Strongly-Doped Iron-Based Superconductors,"An exact particle-hole transformation is discovered in a local-moment model for a single layer of heavily electron-doped FeSe. The model harbors hidden magnetic order between the iron d_xz and d_yz orbitals at the wavenumber (pi,pi). It potentially is tied to the magnetic resonances about the very same Neel ordering vector that have been recently discovered in intercalated FeSe. Upon electron doping, the local-moment model successfully accounts for the electron-pocket Fermi surfaces observed experimentally at the corner of the two-iron Brillouin zone in electron-doped FeSe, as well as for isotropic Cooper pairs. Application of the particle-hole transformation predicts a surface-layer iron-based superconductor at strong hole doping that exhibits high T_c, and that shows hole-type Fermi-surface pockets at the center of the two-iron Brillouin zone.",1601.07479v3 2016-02-13,Origin of the Broad Iron Line Feature and the Soft X-ray Variation in Seyfert Galaxies,"Many Seyfert galaxies are known to exhibit significant X-ray spectral variations and seemingly broad iron K-emission line features. In this paper, we show that the ""variable partial covering model"", which has been successfully proposed for MCG-6.30-15 (Miyakawa, Ebisawa & Inoue 2012) and 1H0707.495 (Mizumoto, Ebisawa & Sameshima 2014), can also explain the spectral variations in 2-10 keV as well as the broad iron line features in 20 other Seyfert galaxies observed with Suzaku. In this model, the absorbed spectral component through the optically-thick absorbing clouds has a significant iron K-edge, which primarily accounts for the observed seemingly broad iron line feature. Fluctuation of the absorbing clouds in the line of sight of the extended X-ray source results in variation of the partial covering fraction, which causes an anti-correlation between the direct (not covered) spectral component and the absorbed (covered) spectral component below ~10 keV. Observed spectral variation in 2-10 keV in a timescale of less than ~day is primarily explained by such variations of the partial covering fraction, while the intrinsic soft X-ray luminosity is hardly variable.",1602.04284v1 2016-03-10,Ferromagnetism and particle collisions: applications to protoplanetary disks and the meteoritical record,"The meteoritical record shows both iron partitioning and tungsten isotopic partitioning between matrix and chondrules. Tungsten is not abundant enough to have driven its own isotopic partitioning, but if tungsten were correlated with iron, then ferromagnetic interactions grains could help explain both observations. We derive a practical parameterization for the increase in particle-particle collision rates caused by mutually attracting particle magnetic dipole moments. While the appropriate magnetic parameters remain uncertain, we show that ambient magnetic fields in protoplanetary disks are expected to be strong enough to magnetize iron metal bearing dust grains sufficiently to drive large increases in their collision rates. Such increased collision rates between iron metal rich grains could help preserve primordial iron and W isotopic inhomogeneities; and would help explain why the meteoritical record shows their partitioning in the solar nebula. The importance of magnetic interactions for larger grains whose growth is balanced by fragmentation is less clear, and will require future laboratory or numerical studies.",1603.03326v1 2016-04-28,Mössbauer parameters of Fe-related defects in group-IV semiconductors: first principles calculations,"We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole splittings observed in M\""ossbauer spectroscopy experiments. The methodology is comprehensively reviewed and applied to the technologically relevant case of iron-related defects in silicon, and to other group-IV hosts to a lesser degree. Investigated defects include interstitial and substitutional iron, iron-boron pairs, iron-vacancy and iron-divacancy. We find that in general, agreement between the calculations and M\""ossbauer data is within a 10% error bar. Nonetheless, we show that the methodology can be used to make accurate assignments, including to separate peaks of similar defects in slightly different environments.",1604.08425v2 2016-05-13,Crystal Chemistry and Structural Design of Iron-Based Superconductors,"The second class of high-temperature superconductors (HTSCs), iron-based pnictides and chalcogenides, necessarily contain Fe$_2$$X_2$ (""$X$"" refers to a pnictogen or a chalcogen element) layers, just like the first class of HTSCs which possess the essential CuO$_2$ sheets. So far, dozens of iron-based HTSCs, classified into nine groups, have been discovered. In this article, the crystal-chemistry aspects of the known iron-based superconductors are reviewed and summarized by employing ""hard and soft acids and bases (HSAB)"" concept. Based on these understandings, we propose an alternative route to exploring new iron-based superconductors via rational structural design.",1605.04179v1 2016-06-14,Ab-initio perspective on structural and electronic properties of iron-based superconductors,"The discovery of iron pnictides and iron chalcogenides as a new class of unconventional superconductors in 2008 has generated an enourmous amount of experimental and theoretical work that identifies these materials as correlated metals with multiorbital physics, where magnetism, nematicity and superconductivity are competing phases that appear as a function of pressure and doping. A microscopic understanding of the appearance of these phases is crucial in order to determine the nature of superconductivity in these systems. Here we review our recent theoretical efforts to describe and understand from first principles the properties of iron pnictides and chalcogenides with special focus on (i) pressure dependence, (ii) effects of electronic correlation and (iii) origin of magnetism and superconductivity.",1606.04411v1 2016-12-07,Direct observation of dispersive lower Hubbard band in iron-based superconductor FeSe,"Electronic correlations were long suggested not only to be responsible for the complexity of many novel materials, but also to form essential prerequisites for their intriguing properties. Electronic behavior of iron-based superconductors is far from conventional, while the reason for that is not yet understood. Here we present a combined study of the electronic spectrum in the iron-based superconductor FeSe by means of angle-resolved photoemission spectroscopy (ARPES) and dynamical mean field theory (DMFT). Both methods in unison reveal strong deviations of the spectrum from single-electron approximation for the whole 3$d$ band of iron: not only the well separated coherent and incoherent parts of the spectral weight are observed, but also a noticeable dispersion of the lower Hubbard band (LHB) is clearly present. This way we demonstrate correlations of the most puzzling intermediate coupling strength in iron superconductors.",1612.02313v1 2017-01-10,Orbital-driven two-dome superconducting phases in iron-based superconductors,"Recent several experiments revealed that novel bipartite magnetic/superconducting phases widely exist in iron pnictides and chalcogenides. Nevertheless, the origin of the two-dome superconducting phases in iron-based compounds still remains unclear. Here we theoretically investigated the electronic structures, magnetic and superconducting properties of three representative iron-based systems, i.e. LaFeAsO1-xHx, LaFeAs1-xPxO and KFe2As2. We found that in addition to the degenerate in-plane anisotropic xz/yz orbitals, the quasi-degenerate in-plane isotropic orbitals drive these systems entering into the second parent phase. Moreover, the second superconducting phase is contributed by the isotropic orbitals rather than the anisotropic ones in the first superconducting phase, indicating an orbital-selective pairing state. These results imply an orbital-driven mechanism and shed light on the understanding of the two-dome magnetic/superconducting phases in iron-based compounds.",1701.02500v1 2017-01-31,SANS contrast variation study of magnetoferritin structure at various iron loading,"Magnetoferritin, a synthetic derivate of iron storage protein - ferritin, has been synthesized with different iron oxide loading values. Small-angle neutron scattering experiments were applied to study the structure of magnetoferritin solutions using contrast variation method by varying the light to heavy water ratio of the solvent. Higher iron loading leads to increasing of the neutron scattering length density of magnetoferritin and also to the increase of the polydispersity of complexes. The formation of the magnetic core and the variation of the protein shell structure upon iron loading are concluded.",1701.09174v1 2017-01-30,Effect of iron oxide loading on magnetoferritin structure in solution as revealed by SAXS and SANS,"Synthetic biological macromolecule of magnetoferritin containing an iron oxide core inside a protein shell (apoferritin) is prepared with different content of iron. Its structure in aqueous solution is analyzed by small-angle synchrotron X-ray (SAXS) and neutron (SANS) scattering. The loading factor (LF) defined as the average number of iron atoms per protein is varied up to LF=800. With an increase of the LF, the scattering curves exhibit a relative increase in the total scattered intensity, a partial smearing and a shift of the match point in the SANS contrast variation data. The analysis shows an increase in the polydispersity of the proteins and a corresponding effective increase in the relative content of magnetic material against the protein moiety of the shell with the LF growth. At LFs above ~150, the apoferritin shell undergoes structural changes, which is strongly indicative of the fact that the shell stability is affected by iron oxide presence.",1702.00350v1 2017-03-09,Transport properties of iron at the Earth's core conditions: the effect of spin disorder,"The electronic and thermal transport properties of the Earth's core are crucial for many geophysical models such as the geodynamo model of the Earth's magnetic field and of its reversals. Here we show, by considering bcc-iron and iron-rich iron-silicon alloy as a representative of the Earth's core composition and applying the first-principles modeling that the spin disorder at the Earth's core conditions provides an essential contribution, of order 20~$\mu\Omega$\,cm, to the electrical resistivity. This value is comparable in magnitude with the electron-phonon and with the recently estimated electron-electron scattering contributions. The origin of the spin-disorder resistivity (SDR) consists in the existence of fluctuating local moments that are stabilized at high temperatures by the magnetic entropy even at pressures at which the ground state of iron is non-magnetic. We find that electron-phonon and SDR contributions are not additive at high temperatures. We thus observe a large violation of the Matthiessen rule, not common in conventional metallic alloys at ambient conditions.",1703.03205v3 2017-03-19,Surface anisotropy of iron oxide nanoparticles and slabs from first principles : influence of coatings and ligands as a test of the Heisenberg model,"We performed ab initio computations of the magnetic properties of simple iron oxide clusters and slabs. We considered an iron oxide cluster functionalized by a molecule or glued to a gold cluster of the same size. We also considered a magnetite slab coated by cobalt oxide or a mixture of iron oxide and cobalt oxide. The changes in magnetic behavior were explored using constrained magnetic calculations. A possible value for the surface anisotropy was estimated from the fit of a classical Heisenberg model on ab initio results. The value was found to be compatible with estimations obtained by other means, or inferred from experimental results. The addition of a ligand, coating, or of a metallic nanoparticle to the systems degraded the quality of the description by the Heisenberg Hamiltonian. Proposing a change in the anisotropies allowing for the proportion of each transition atom we could get a much better description of the magnetism of series of hybrid cobalt and iron oxide systems.",1703.06414v1 2017-06-16,Robotic Ironing with 3D Perception and Force/Torque Feedback in Household Environments,"As robotic systems become more popular in household environments, the complexity of required tasks also increases. In this work we focus on a domestic chore deemed dull by a majority of the population, the task of ironing. The presented algorithm improves on the limited number of previous works by joining 3D perception with force/torque sensing, with emphasis on finding a practical solution with a feasible implementation in a domestic setting. Our algorithm obtains a point cloud representation of the working environment. From this point cloud, the garment is segmented and a custom Wrinkleness Local Descriptor (WiLD) is computed to determine the location of the present wrinkles. Using this descriptor, the most suitable ironing path is computed and, based on it, the manipulation algorithm performs the force-controlled ironing operation. Experiments have been performed with a humanoid robot platform, proving that our algorithm is able to detect successfully wrinkles present in garments and iteratively reduce the wrinkleness using an unmodified iron.",1706.05340v1 2017-07-20,"Abundances in Galactic Bulge planetary nebulae from optical, ultraviolet and infrared observations","Iron suffers from high levels of depletion in the highly ionized environments of planetary nebulae, making the direct determination of undepleted elemental iron abundances difficult. Zinc, which does not suffer from the same depletion effects as iron, may be used as a surrogate element to measure iron abundances as there is an approximately constant zinc-to-iron ratio across a wide range of metallicities. In this paper, we report zinc abundances of six Galactic Bulge planetary nebulae determined from new observations taken with ISAAC on the Very Large Telescope, Chile, prior to the instrument's decommissioning as well as a further three based upon literature observations. UVES data of the sample planetary nebulae are presented and have been used to derive abundances, temperatures and densities of a variety of elements and ions. The abundances derived from the UVES data agree well with results from the literature. [Zn/H], determined from the ISAAC observations, is found to be generally sub-solar and [O/Zn] is found to be either consistent or enriched with respect to Solar.",1707.06672v1 2018-05-09,Graphene-Supported Silver-Iron Carbon Nitride Derived from Thermal Decomposition of Silver Hexacyanoferrate as Effective Electrocatalyst for the Oxygen Reduction Reaction in Alkaline Media,"Silver-iron carbon nitride has been obtained by pyrolysis (under inert atmosphere) of silver hexacyanoferrate(II), precipitated on graphene nanoplatelets, and examined as electrocatalyst for oxygen reduction reaction in alkaline media in comparison to silver nanoparticles and iron carbon nitride (prepared separately in a similar manner on graphene nanoplatelets). The catalytic materials have been studied in 0.1 M potassium hydroxide electrolyte using such electrochemical diagnostic techniques as cyclic voltammetry and rotating ring-disk electrode voltammetry. Upon application of graphene nanoplateletssupported mixed silver-iron carbon nitride catalyst, the reduction of oxygen proceeds at more positive potentials and the amounts of hydrogen peroxide (generated during reduction of oxygen at potentials more positive than 0.3 V) are lower relative to silver nanoparticles and iron carbon nitride (supported on graphene nanoplatelets) examined separately. Promoting effect is ascribed to high activity of silver toward the reduction/decomposition of H2O2 in basic medium. Additionally, it has been observed that the systems based on carbon nitrides show considerable stability due to strong fixation of metal complexes to CN shells.",1805.03439v1 2018-12-13,Seeding the Formation of Mercurys: An Iron-sensitive Bouncing Barrier in Disk Magnetic Fields,"The inner part of protoplanetary disks can be threaded by strong magnetic fields. In laboratory levitation experiments, we study how magnetic fields up to 7 mT influence the aggregation of dust by observing the self-consistent collisional evolution of particle ensembles. As dust samples we use mixtures of iron and quartz in different ratios. Without magnetic fields, particles in all samples grow into a bouncing barrier. These aggregates reversibly form larger clusters in the presence of magnetic fields. The size of these clusters depends on the strength of the magnetic field and the ratio between iron and quartz. The clustering increases the size of the largest entities by a factor of a few. If planetesimal formation is sensitive to the size of the largest aggregates, e.g., relying on streaming instabilities, then planetesimals will preferentially grow iron-rich in the inner region of protoplanetary disks. This might explain the iron gradient in the solar system and the formation of dense Mercury-like planets.",1812.05338v1 2019-06-19,The Modulating Optical Depth of Photoelectric Absorption Edge with Pulse Phase in Accretion-Powered X-ray Pulsars,"We report the first discovery of pulse phase modulating optical depths at the iron K-edge in accretion-powered X-ray pulsars, from Suzaku observations. A significant modulating optical depth of the iron K-edge is detected for Vela X-1 and GX 1+4. Similar trends are seen in GX 301-2 and OAO 1657-415, though with poor statistical significance. The observed iron K-edge exhibits a maximum optical depth, when the X-ray continuum dims, and there is no significant pulse phase variation in the ionization state of iron. The revealed changes in the optical depth with pulse phase can be explained as being due to the accreting matter captured by the magnetic field lines of the pulsar, which co-rotates with the neutron star spin and is responsible for photoelectric absorption. Based on the above interpretation, we propose that the accreting matter within the Alfv\'en radius contains iron with an ionization state of Fe$_{\rm V\hspace{-0.1em}I-X\hspace{-0.1em}I}$ with a particle density of $10^{17}$ cm$^{-3}$ and has a shape flattened along the azimuthal direction, such as an accretion curtain.",1906.08037v2 2019-08-19,Reverse chemistry of iron in the deep Earth,"In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Earth's mantle and core. Using first principles crystal structure search method, we conduct a systematic study of the propensity of p block elements to chemically bind with iron under high pressures ranging from ambient conditions to that of Earth's core. We show that under increasing pressure, iron tends to reverse its chemical nature, changing from an electron donor (reductant) to an electron acceptor, and oxidizes p-block elements in many compounds. Such reverse chemistry has a significant impact on the stoichiometries, bond types and strengths, structures and properties of iron compounds under deep planetary conditions.",1908.06569v1 2019-12-16,Iron telluride ladder compounds: Predicting the structural and magnetic properties of BaFe$_2$Te$_3$,"Since the discovery of pressure-induced superconductivity in the two-leg ladder system BaFe$_2X_3$ ($X$=S, Se), with the 3$d$ iron electronic density $n = 6$, the quasi-one-dimensional iron-based ladders have attracted considerable attention. Here, we use Density Functional Theory (DFT) to predict that the novel $n = 6$ iron ladder BaFe$_2$Te$_3$ could be stable with a similar crystal structure as BaFe$_2$Se$_3$. Our results also indicate that BaFe$_2$Te$_3$ will display the complex 2$\times$2 Block-type magnetic order. Due to the magnetic striction effects of this Block order, BaFe$_2$Te$_3$ should be a magnetic noncollinear ferrielectric system with a net polarization $0.31$ $\mu$C/cm$^2$. Compared with the S- or Se-based iron ladders, the electrons of the Te-based ladders are more localized, implying that the degree of electronic correlation is enhanced for the Te case which may induce additional interesting properties. The physical and structural similarity with BaFe$_2$Se$_3$ also suggests that BaFe$_2$Te$_3$ could become superconducting under high pressure.",1912.07749v1 2020-02-25,"Heavily Hydride-ion-doped 1111-type Iron-based Superconductors: Synthesis, Physical Properties and Electronic Structure","Iron-based superconductors have grown to be a new continent of high Tc superconductors comparable to cuprates. The optimal critical temperature (Tc) of 56 K in electron-doped 1111-type iron oxypnictides attracts considerable attention of physicists and chemists. Carrier doping is not only essential to induce superconductivity but also is a critical parameter that governs the electronic, magnetic, and crystallographic properties of ground states in high-Tc superconductors. Hydride ion (H-) which is an anionic state of hydrogen acts as an efficient electron donor in the 1111-type, leading to several important discoveries such as two-dome structure of superconducting phase and bipartite parent phase. This article summarizes the synthesis, physical properties, and electronic structure of the H- bearing 1111-type iron-based superconductors along with the relevant phenomena of other superconductors. We show several common characteristics of iron-based superconductors with high-Tc over 50 K and suggest a way to achieve higher Tc.",2002.11218v1 2020-02-22,Hemolithin: a Meteoritic Protein containing Iron and Lithium,"This paper characterizes the first protein to be discovered in a meteorite. Amino acid polymers previously observed in Acfer 086 and Allende meteorites [1,2] have been further characterized in Acfer 086 via high precision MALDI mass spectrometry to reveal a principal unified structure of molecular weight 2320 Daltons that involves chains of glycine and hydroxy-glycine residues terminated by iron atoms, with additional oxygen and lithium atoms. Signal-to-noise ratios up to 135 have allowed the quantification of iron and lithium in the various MALDI fragments via the isotope satellites due to their respective minority isotopic masses 54Fe and 6Li. Analysis of the complete spectrum of isotopes associated with each molecular fragment shows 2H enhancements above terrestrial averaging 25,700 parts per thousand (sigma = 3,500, n=15), confirming extra-terrestrial origin and hence the existence of this molecule within the asteroid parent body of the CV3 meteorite class. The molecule is tipped by an iron-oxygen-iron grouping that in other terrestrial contexts has been proposed to be capable of absorbing photons and splitting water into hydroxyl and hydrogen moieties.",2002.11688v1 2020-07-01,Orbital selectivity in electron correlations and superconducting pairing of iron-based superconductors,"Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe $3d$-orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective correlations has been an active topic in the study of the iron-based systems. In this paper, we survey the recent developments on the subject. For the normal state, we emphasize the orbital-selective Mott physics that has been extensively studied, especially in the iron chalcogenides, in the case of electron filling $n \sim 6$. In addition, the interplay between orbital selectivity and electronic nematicity is addressed. For the superconducting state, we summarize the initial ideas for orbital-selective pairing, and discuss the recent explosive activities along this direction. We close with some perspectives on several emerging topics. These include the evolution of the orbital-selective correlations, magnetic and nematic orders and superconductivity as the electron filling factor is reduced from $6$ to $5$, as well as the interplay between electron correlations and topological bandstructure in iron-based superconductors.",2007.00181v1 2021-06-24,Polymers' surface interactions with molten iron: a theoretical study,"Environmental concerns are the chief drive for more innovative recycling techniques for end-of-life polymeric products. One attractive option is taking advantage of C and H content of polymeric waste in steelmaking industry. In this work, we examined the interaction of two high production polymers, i.e., polyurethane and polysulfide with molten iron using ab initio molecular dynamics simulation. We demonstrate that both polymers can be used as carburizers for molten iron. Additionally, we found that light weight H$_2$ and CH$_x$ molecules were released as by-products of the polymer-molten iron interaction. The outcomes of this study will have applications in the carburization of molten iron during ladle metallurgy and waste plastic injection in electric arc furnace.",2106.12722v1 2021-10-28,Influence of spin fluctuations on structural phase transitions of iron,"The effect of spin fluctuations on the $\alpha$ (bcc) - $\gamma$ (fcc) - $\delta$ (bcc) structural phase transitions in iron is investigated with a tight-binding (TB) model. The orthogonal $d$-valent TB model is combined with thermodynamic integration, spin-space averaging and Hamiltonian Monte Carlo to compute the temperature-dependent free-energy difference between bcc and fcc iron. We demonstrate that the TB model captures experimentally observed phonon spectra of bcc iron at elevated temperatures. Our calculations show that spin fluctuations are crucial for both, the $\alpha$ - $\gamma$ and the $\gamma$ - $\delta$ phase transitions but they enter through different mechanisms. Spin fluctuations impact the $\alpha$ - $\gamma$ phase transition mainly via the magnetic/electronic free-energy difference between bcc and fcc iron. The $\gamma$ - $\delta$ phase transition, in contrast, is influenced by spin fluctuations only indirectly via the spin-lattice coupling. Combining the two mechanisms, we obtain both, the $\alpha$ - $\gamma$ and the $\gamma$ - $\delta$ phase transitions with our TB model. The calculated transition temperatures are in very good agreement with experimental values.",2110.15003v2 2022-02-22,Many body study of iron(III) bound human serum transferrin,"Transferrins are proteins responsible for transporting metal ions in all vertebrates. However, the iron binding properties of transferrins remain poorly understood. Iron, as a transition metal, forms ions with partially-occupied 3d subshells. The electrons within the 3d orbitals of iron-bound transferrin are therefore highly localized, and interact with one another in a complex manner that cannot be fully characterized by considering each electron separately. In this work, we make use of dynamical mean field theory, a technique that accounts for the strong interactions between these electrons. This is a higher level of theory than has ever been used to study transferrins. We present novel data on the effective spin, multiplet states and optical spectra of iron-bound human serum transferrin.",2202.10818v1 2022-04-05,IRON: Inverse Rendering by Optimizing Neural SDFs and Materials from Photometric Images,"We propose a neural inverse rendering pipeline called IRON that operates on photometric images and outputs high-quality 3D content in the format of triangle meshes and material textures readily deployable in existing graphics pipelines. Our method adopts neural representations for geometry as signed distance fields (SDFs) and materials during optimization to enjoy their flexibility and compactness, and features a hybrid optimization scheme for neural SDFs: first, optimize using a volumetric radiance field approach to recover correct topology, then optimize further using edgeaware physics-based surface rendering for geometry refinement and disentanglement of materials and lighting. In the second stage, we also draw inspiration from mesh-based differentiable rendering, and design a novel edge sampling algorithm for neural SDFs to further improve performance. We show that our IRON achieves significantly better inverse rendering quality compared to prior works. Our project page is here: https://kai-46.github.io/IRON-website/",2204.02232v1 2022-07-18,Study of Thin Iron Films for Polarization Analysis of Ultracold Neutrons,"The TUCAN (TRIUMF Ultra-Cold Advanced Neutron) collaboration aims to search for the neutron electric dipole moment (nEDM) with unprecedented precision. One of the essential elements for the nEDM measurement is a polarization analyzer of ultracold neutrons (UCNs), whose main component is a magnetized thin iron film. Several thin iron films were deposited on aluminum and silicon ubstrates and were characterized by vibrating sample magnetometry and cold-neutron reflectometry. A magnetic field required to saturate the iron film is $\sim$12 kA/m for those on the aluminum substrates and 6.4 kA/m for the silicon substrates. The magnetic potential of the iron films on the Si substrate was estimated to be 2 T by the neutron reflectometry, which is sufficient performance for an UCN polarization analyzer of the nEDM measurement.",2207.08441v1 2022-09-17,Theoretical predictions of melting behaviors of hcp iron up to 4000 GPa,"The high-pressure melting diagram of iron is a vital ingredient for the geodynamic modeling of planetary interiors. Nonetheless, available data for molten iron show an alarming discrepancy. Herein, we propose an efficient one-phase approach to capture the solid-liquid transition of iron under extreme conditions. Our basic idea is to extend the statistical moment method to determine the density of iron in the TPa region. On that basis, we adapt the work-heat equivalence principle to appropriately link equation-of-state parameters with melting properties. This strategy allows explaining cutting-edge experimental and ab initio results without massive computational workloads. Our theoretical calculations would be helpful to constrain the chemical composition, internal dynamics, and thermal evolution of the Earth and super-Earths.",2209.08220v1 2022-10-24,Electronic properties and surface states of RbNi$_2$Se$_2$,"Iron-based superconductors, with the ThCr$_{2}$Si$_{2}$-type tetragonal structure (122 family), due to the iron arsenide/selenide layers exhibit several characteristic electronic properties. For example, multiband character mosty associated with the $d$-orbitals of iron and the quasi-two-dimensional (2D) cylindrical Fermi surface. Moreover, external hydrostatic pressure leads to the isostructural phase transition from the tetragonal to collapsed-tetragonal phase. In this paper, in relation to the iron-based superconductors, we discuss the electronic properties of novel 122-family member RbNi$_{2}$Se$_{2}$ [Liu H. et al., Phys. Rev. B 106, 094511 (2022)]. We show that the two Fermi pockets exhibit quasi-2D character. Calculation of the surface spectral function for the (001) surface shows that the surface states are realized independently on the surface termination. Additionally, contrary to the iron-based 122 compounds, RbNi$_{2}$Se$_{2}$ exhibits extraordinary multiple isostructural phase transitions under pressure. Moreover, the Lifshizt transition occurs under external pressure, which results into a strong modification of the shapes of the Fermi pockets.",2210.13280v2 2023-06-08,Iron Oxide Nanoparticles as a Contrast Agent for Synchrotron Imaging of Sperm,"Fast phase-contrast imaging offered by modern synchrotron facilities opens the possibility of imaging dynamic processes of biological material such as cells. Cells are mainly composed of carbon and hydrogen, which have low X-ray attenuation, making cell studies with X-ray tomography challenging. At specific low energies, cells provide contrast, but cryo-conditions are required to protect the sample from radiation damage. Thus, non-toxic labelling methods are needed to prepare living cells for X-ray tomography at higher energies. We propose using iron oxide nanoparticles due to their proven compatibility in other biomedical applications. We show how to synthesize and attach iron oxide nanoparticles and demonstrate that cell-penetrating peptides facilitate iron oxide nanoparticle uptake into sperm cells. We show results from the TOMCAT Nanoscope (Swiss Light Source), showing that iron oxide nanoparticles allow the heads and midpiece of fixed sperm samples to be reconstructed from X-ray projections taken at 10 keV.",2309.03908v1 2023-12-05,Iron and gold thin films: first-principles study,"Using density functional theory, we carried out systematic calculations for a series of ultrathin iron layers with thicknesses ranging from one atomic monolayer to eleven monolayers (up to about 1.5 nm). We considered three cases: (1) iron layers both on a gold substrate and coated with gold, (2) iron layers on a gold substrate but without coverage, and (3) freestanding iron layers adjacent to a vacuum. For our models, we chose initial bcc Fe(001) surfaces and fcc Au(001) substrates. Based on the calculations, we determined the details of the geometry and magnetic properties of the systems. We calculate lattice parameters, magnetic moments, Curie temperatures and magnetocrystalline anisotropy energies. From the thickness dependence, we determined the volume and surface contributions to the magnetic anisotropy constant. The further analysis allowed us to determine the thickness ranges of the occurrence of perpendicular magnetic anisotropy, as well as the effect of thickness and the presence of a substrate and cap layer on the direction of the magnetization easy axis.",2312.02701v1 2024-01-11,Boundary-induced phase in epitaxial iron layers,"We report the discovery of a boundary-induced body-centered tetragonal (bct) iron phase in thin films deposited on MgAl$_{2}$O$_{4}$ ($001$) substrates. We present evidence for this phase using detailed x-ray analysis and ab-initio density functional theory calculations. A lower magnetic moment and a rotation of the easy magnetisation direction are observed, as compared to body-centered cubic (bcc) iron. Our findings expand the range of known crystal and magnetic phases of iron, providing valuable insights for the development of heterostructure devices using ultra-thin iron layers.",2401.05990v1 2024-02-05,Influence of graphene on the electronic and magnetic properties of an iron(III) porphyrin chloride complex,"Although iron-based catalysts are regarded as a promising alternative to precious metal catalysts, their precise electronic structures during catalysis still pose challenges for computational descriptions. A particularly urgent question is the influence of the environment on the electronic structure, and how to describe this properly with computational methods. Here, we study an iron porphyrin chloride complex adsorbed on a graphene sheet using density functional theory calculations to detail how much the electronic structure is influenced by the presence of a graphene layer. Our results indicate that weak interactions due to van der Waals forces dominate between the porphyrin complex and graphene, and only a small amount of charge is transferred between the two entities. Furthermore, the interplay of the ligand field environment, strong $p$ $-$ $d$ hybridization, and correlation effects within the complex are strongly involved in determining the spin state of the iron ion. By bridging molecular chemistry and solid state physics, this study provides first steps towards a joint analysis of the properties of iron-based catalysts from first principles.",2402.03544v1 1998-05-14,An RXTE Observation of the Seyfert 1 Galaxy MCG-6-30-15 : X-ray Reflection and the Iron Abundance,"We report on a 50 ks observation of the bright Seyfert 1 galaxy MCG--6-30-15 with the Rossi X-ray Timing Explorer. The data clearly show the broad fluorescent iron line (equivalent width ~ 250 eV), and the Compton reflection continuum at higher energies. A comparison of the iron line and the reflection continuum has enabled us to constrain reflective fraction and the elemental abundances in the accretion disk. Temporal studies provide evidence that spectral variability is due to changes in both the amount of reflection seen and the properties of the primary X-ray source itself.",9805198v1 2002-03-12,Ionized iron Kαlines in AGN X-ray spectra,"The Equivalent Widths (EW) of the He- and H-like iron lines produced in photoionized, circumnuclear matter of AGN are calculated with respect to both the reflected and the total continua. We found that the EWs with respect tothe total continuum may be as large as a few tens of eV, making them observable in bright Seyfert 1s by instruments on board Chandra and XMM-Newton. We apply our calculations to the XMM-Newton spectrum of NGC 5506 and found a good agreement with the data at the expense of a modest iron overabundance.",0203178v1 2004-09-14,Spectroscopic Equilibrium of Iron in Metal-Rich Dwarfs,"We analyze twenty five nearby metal-rich G and late-F dwarfs in order to verify whether the spectroscopic equilibrium (LTE) of iron lines satisfy the observational constraints imposed by the Infrared Flux Method (angular diameters) and Hipparcos parallaxes. The atmospheric parameters derived from iron lines (assuming LTE and employing 1D Kurucz model atmospheres) do not satisfy simultaneously both observational constraints, probably because classical modeling fails to reproduce the detailed line formation of FeI lines.",0409347v1 2004-12-16,On the thermal behaviour of small iron grains,"The optical properties of small spherical iron grains are derived using a Kramers-Kronig-consistent model of the dielectric function including its dependence on temperature and size. Especially discussed is the effect of the size dependence, which results from the limitation of the free path of the free electrons in the metal by the size of the grain, on the absorption behaviour of small iron spheres and spheroids. The estimated absorption properties are applied to study the temperature behaviour of spherical and spheroidal grains which are heated by the interstellar radiation field.",0412425v2 2006-11-30,Instability strips of main sequence B stars: a parametric study of iron enhancement,"The discovery of beta Cephei stars in low metallicity environments, as well as the difficulty to theoretically explain the excitation of the pulsation modes observed in some beta Cephei and SPB stars, suggest that the iron opacity ``bump'' provided by standard models could be underestimated. We investigate, by means of a parametric study, the effect of a local iron enhancement on the location of the beta Cephei and SPB instability strips.",0611944v1 1998-06-02,The stabilizing role of itinerant ferromagnetism in inter-granular cohesion in iron,"We present a simple, general energy functional for ferromagnetic materials based upon a local spin density extension to the Stoner theory of itinerant ferromagnetism. The functional reproduces well available ab initio results and experimental interfacial energies for grain boundaries in iron. The model shows that inter-granular cohesion along symmetric tilt boundaries in iron is dependent upon strong magnetic structure at the interface, illuminates the mechanisms underlying this structure, and provides a simple explanation for relaxation of the atomic structure at these boundaries.",9806034v1 2001-10-15,Superconductivity in compressed iron: Role of spin fluctuations,"The recent discovery of superconductivity in hexagonal iron under pressure poses a question about whether it is of conventional (phonon) or unconventional (magnetic?) origin. We present first-principles calculations of the electron-phonon coupling in iron at $P\agt 15$ GPa, and argue that a conventional mechanism can explain the appearance of superconductivity, but not its rapid disappearance at $P\agt 30$ GPa. We suggest that spin fluctuations, ferro- and/or antiferromagnetic, play a crucial role in superconductivity in this case.",0110297v1 2004-04-15,High-field magnetoresistance of Fe/GaAs/Fe tunnel junctions,"We investigate transport through 6 to 10 nm thin epitaxial GaAs(001) barriers sandwiched between polycrystalline iron films. Apart from a pronounced tunneling magnetoresistance effect (TMR) at low magnetic fields we observe a distinct negative magnetoresistance (MR) at low and a positive MR at higher temperatures. We show that the negative MR contribution is only observed for the ferromagnetic iron contacts but is absent if iron is replaced by copper or gold electrodes. Possible explanations of the negative MR involve suppression of spin-flip scattering or Zeeman splitting of the tunneling barrier.",0404351v1 2004-06-16,Development of an interatomic potential for phosphorus impurities in iron,"We present the derivation of an interatomic potential for the iron phosphorus system based primarily on {\it ab initio} data. Transferrability in this system is extremely problematic, and the potential is intended specifically to address the problem of radiation damage and point defects in iron containing low concentrations of phosphorus atoms. Some preliminary molecular dynamics calculations show that P strongly affects point defect migration.",0406356v1 2006-12-30,Low relaxation rate in a low-Z alloy of iron,"The longest relaxation time and sharpest frequency content in ferromagnetic precession is determined by the intrinsic (Gilbert) relaxation rate \emph{$G$}. For many years, pure iron (Fe) has had the lowest known value of $G=\textrm{57 Mhz}$ for all pure ferromagnetic metals or binary alloys. We show that an epitaxial iron alloy with vanadium (V) possesses values of $G$ which are significantly reduced, to 35$\pm$5 Mhz at 27% V. The result can be understood as the role of spin-orbit coupling in generating relaxation, reduced through the atomic number $Z$.",0701004v1 1998-01-21,Total and Parity-Projected Level Densities of Iron-Region Nuclei by the Shell Model Monte Carlo Method,"Total and parity-projected level densities of iron-region nuclei are calculated microscopically by using Monte Carlo methods for the nuclear shell model in the complete $(pf+0g_{9/2})$-shell. The calculated total level density is found to be in good agreement with the experimental level density. The Monte Carlo calculations offer a significant improvement over the thermal Hartree-Fock approximation. Contrary to the Fermi gas model, it is found that the level density has a significant parity-dependence in the neutron resonance region. The systematics of the level density parameters (including shell effects) in the iron region is presented.",9801042v1 2001-08-01,Hybrid Rings of Fixed 8T Superconducting Magnets and Iron Magnets Rapidly Cycling between -2T and +2T for a Muon Collider,"Two 2200m radius hybrid rings of fixed superconducting magnets and iron magnets ramping at 200 Hz and 330 Hz are used to accelerate muons. Muons are given 25 GeV of RF energy per orbit. Acceleration is from 250 GeV/c to 2400 GeV/c and requires a total of 86 orbits in both rings; 82% of the muons survive. The total power consumption of the iron dipoles is 4 megawatts. Stranded copper conductors and thin Metglas laminations are used to reduce power losses.",0108001v1 2008-01-06,A comparison of the magnetic properties of Proton- and Iron-implanted graphite,"In this work we have investigated the changes of the magnetic properties of highly oriented pyrolytic graphite samples after irradiation either with $\sim 3 \times 10^{14}$ protons or $ 3.5 \times 10^{13} ... 3.5 \times 10^{14}$ iron ions with energies in the MeV range. Our results show that iron and proton irradiations can produce similar paramagnetic contributions depending on the implantation temperature. However, only protons induce a ferromagnetic effect.",0801.0850v1 2008-05-22,Iron nanoparticle formation in a metal-organic matrix: from ripening to gluttony,"A simple method for the fabrication of metal nanoparticles is introduced. Heating metal-organic crystals in vacuum results in the formation of well defined metal particles embedded in a carbon matrix. The method is demonstrated for iron-phthalocyanine. At 500C homogeneously distributed iron nanoparticles with a reasonably narrow size distribution form by nucleation and ripening. After this initial phase the formation kinetics changes drastically. The particles move in the matrix to incorporate material. The ""gluttony"" phase shows astonishing similarities with the search for nutrition of living micro-organisms. Particle formation, ripening and gluttony are followed in-situ by transmission electron microscopy.",0805.3416v1 2008-08-14,Synthesis and superconducting properties of the iron oxyarsenide TbFeAsO0.85,"The iron oxyarsenide TbFeAsO0.85 was synthesized by a high-pressure method. A high-quality polycrystalline sample was obtained and characterized by measurements of magnetic susceptibility and electrical resistivity. Bulk superconductivity with Tc of 42 K was clearly established without an F doping usually conducted to tune on superconductivity in the iron oxypnictide.",0808.1948v1 2008-11-11,Theory of Andreev reflection in junctions with iron-based High-$T_c$ superconductors,"We construct a theory for low-energy quantum transport in normal$\mid$superconductor junctions involving the recently discovered iron-based high-$T_c$ superconductors. We properly take into account both Andreev bound surface states and the complex Fermi surface topology in our approach, and investigate the signatures of the possible order parameter symmetries for the FeAs-lattice. Our results could be helpful in determining the symmetry of the superconducting state in the iron-pnicitide superconductors.",0811.1775v1 2008-11-17,Effect of hybridization on structural and magnetic properties of iron-based superconductors,"We show that the strong hybridization between the iron 3d and the arsenic 4p orbitals, in the newly discovered iron-based high-T$_{c}$ superconductors, leads to an explanation of certain experimental observations that are presently not well understood. The existence of a lattice distortion, the smallness of the Fe magnetic moment in the undoped systems, and the suppression of both the lattice distortion and the magnetic order upon doping with fluorine, are all shown to result from this hybridization.",0811.2716v1 2008-12-17,Phase-Sensitive measurements on the corner junction of iron-based superconductor BaFe1.8Co0.2As2,"We have made a phase-sensitive measurement on the corner junction of the iron-based superconductor BaFe1.8Co0.2As2, and observed the typical Fraunhofer-like diffraction pattern. The result suggests that there is no phase shift between the a-c face and b-c face of a crystal, which indicates that the superconducting wavefunction of the iron based superconductor is different from that of a cuprate superconductor.",0812.3295v1 2009-02-19,Is the nature of magnetic order in copper-oxides and in iron-pnictides different?,"We use the results of first-principles electronic structure calculations and a strong coupling perturbation approach, together with general theoretical arguments, to illustrate the differences in super-exchange interactions between the copper-oxides and iron-pnictides. We show that the two magnetic ground states can be understood in a simple manner within the same theoretical foundation. Contrary to the emerging view that magnetic order in the iron-pnictides is of itinerant nature, we argue that the observed magnetic moment is small because of frustration introduced by the electrons of the Fe orbitals as they compete to impose their preferred magnetic ordering.",0902.3450v1 2009-03-06,On the mechanism of high-temperature superconductivity in the iron based pnictides,"The recent discovery of superconductivity at moderately high temperature (26 K to 55 K) in doped iron-based pnictides (LnO_{1-x}F_xFeAs, where Ln = La, Ce, Sm, Pr, Nd, etc.), having layered-structure-like cuprates, has triggered renewed challenge towards understanding the pairing mechanism. After reviewing the current findings on these systems, a theoretical model of a combined mechanism is suggested in which the phonon-mediated and distortion-field-mediated pairing processes give the right order of superconducting critical temperature T_c. The distortion-field modes arise from Jahn-Teller or pseudo Jahn-Teller effects due to degenerate or near-degenerate iron 3d_{xz} and 3d_{yz} orbitals.",0903.1181v1 2009-03-25,Exchange Constants and Neutron Spectra of Iron Pnictide Materials,"We show that the neutron scattering spectra observed in CaFe$_2$As$_2$ by Zhao et al (arXiv:0903.2686v1) and the highly unusual spatially anisotropic exchange constants in the iron pnictides derived by Han et al (Phys. Rev. Lett. 102, 107003 (2009)), using electronic structure calculations, can be explained by assuming a role for orbital order in these materials. We write down a simple model Hamiltonian with tertagonal symmetry, whose spin-wave spectra describes the observed dispersion relations. We further argue that these materials have orbital selective Mott transition, which is driven by superexchange between neighboring iron atoms. We suggest that reduced spin and quasi-one dimensionality and not frustration are responsible for the reduced moments in these materials.",0903.4408v1 2009-06-11,To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report,"In this review, the authors present a summary of experimental reports on newly discovered iron-based superconductors as they were known at the end of 2008. At the same time, this paper is intended to be useful for experimenters to know the current status of these superconductors. The authors introduce experimental results that reveal basic physical properties in the normal and superconducting states. The similarities and differences between iron-pnictide superconductors and other unconventional superconductors are also discussed.",0906.2045v1 2009-09-08,Is Fermi-surface nesting the origin of superconductivity in iron pnictides?: A fluctuation-exchange-approximation study,"We study whether Fermi-surface (FS) nesting can give rise to high-temperature superconductivity in iron pnictides. Starting with ab initio construction of an effective four-orbital model, we employ the fluctuation-exchange approximation to show that FS does not necessarily favor the stripe antiferromagnetic order observed in experiments, especially for realistic electronic correlations. If superconductivity in iron pnictides is magnetically mediated and has fully-gapped sign-reversing s-wave symmetry, our results suggest that the pairing interaction does not arise only from FS nesting and exchange interactions between local moments in the Fe 3d orbitals may play a crucial role.",0909.1413v1 2009-10-14,Magnetic Excitations of Undoped Iron Oxypnictides,"We study the magnetic excitations of undoped iron oxypnictides using a three-dimensional Heisenberg model with single-ion anisotropy. Analytic forms of the spin wave dispersion, velocities, and structure factor are given. Aside from quantitative comparisons which can be made to inelastic neutron scattering experiments, we also give qualitative criteria which can distinguish various regimes of coupling strength. The magnetization reduction due to quantum zero point fluctuations shows clear dependence on the c-axis coupling.",0910.2528v1 2010-04-17,Looking at the superconducting gap of iron pnictides,"THz and infrared spectroscopy is widely utilized to investigate the electrodynamic properties of the novel iron-based superconductors in the normal and superconducting states. Besides electronic excitations and correlations, electron-phonon coupling and the influence of magnetism, the experiments yield important information on low-lying excitations and help to clarify the number and symmetry of superconducting gaps. While the experimental data of different groups converge, the interpretation is still under debate. Here we review the status of optical investigations on the superconducting state for the 122 and 11 family of iron pnictides.",1004.2962v1 2010-04-27,Magnetic Ordering in Blocking Layer and Highly Anisotropic Electronic Structure of High-Tc Iron-based Superconductor Sr2VFeAsO3: LDA+U Studies,"We calculate electronic structures of a high-Tc iron-based superconductor Sr2VFeAsO3 by LDA+U method. We assume a checker-board antiferromagnetic order on blocking layers including vanadium and strong correlation in d-orbits of vanadium through the Hubbard U. While the standard LDA brings about metallic blocking layers and complicated Fermi surface as in the previous literatures, our calculation changes the blocking layer into insulating one and the Fermi surface becomes quite similar to those of other iron-based superconductors. Moreover, the appearance of the insulating blocking layers predicts high anisotropy on quasi-particle transports and new types of intrinsic Josephson effects.",1004.4741v1 2010-06-11,"First Homologous Series of Iron Pnictide Oxide Superconductors (Fe2As2)(Can+1(Sc,Ti)nOy) [n = 3,4,5] with Extremely Thick Blocking Layers","We have discovered first homologous series of iron pnictide oxide superconductors (Fe2As2)(Can+1(Sc,Ti)nOy) [n = 3,4,5]. These compounds have extremely thick blocking layers up to quintuple perovskite oxide layers sandwiched by the Fe2As2 layers. These samples exhibited bulk superconductivity with relatively high Tc up to 42 K. The relationship between Tc and the iron-plane interlayer distance suggested that superconductivity due to the mono Fe2As2 layer is substantially 40 K-class.",1006.2355v2 2010-08-09,Electronic structure and total energy of interstitial hydrogen in iron: Tight binding models,"An application of the tight binding approximation is presented for the description of electronic structure and interatomic force in magnetic iron, both pure and containing hydrogen impurities. We assess the simple canonical d-band description in comparison to a non orthogonal model including s and d bands. The transferability of our models is tested against known properties including the segregation energies of hydrogen to vacancies and to surfaces of iron. In many cases agreement is remarkably good, opening up the way to quantum mechanical atomistic simulation of the effects of hydrogen on mechanical properties.",1008.1499v4 2010-08-25,Electronic correlations at the alpha-gamma structural phase transition in paramagnetic iron,"We compute the equilibrium crystal structure and phase stability of iron at the alpha(bcc)-gamma(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods for calculating electronic band structures and dynamical mean-field theory. The magnetic correlation energy is found to be an essential driving force behind the alpha-gamma structural phase transition in paramagnetic iron.",1008.4342v2 2010-10-20,Templated self-assembly of iron oxide nanoparticles,"We report on self-assembled iron oxide nanoparticle films on silicon substrates. In addition to homogeneously assembled layers, we fabricated patterned trenches of 40-1000 nm width using electron beam lithography for the investigation of assisted self-assembly. The nanoparticles with a diameter of 20 nm +/- 7% were synthesized by thermal decomposition of iron oleate complexes in trioctylamine in presence of oleic acid. Samples with different track widths and nanoparticle concentration were characterized by scanning electron microscopy and by superconducting quantum interference device magnetometry.",1010.4166v1 2011-04-08,Spin fluctuations in LiFeAs observed by neutron scattering,"We report neutron inelastic scattering measurements on the stoichiometric iron-based superconductor LiFeAs. We find evidence for (i) magnetic scattering consistent with strong antiferromagnetic fluctuations, and (ii) an increase in intensity in the superconducting state at low energies, similar to the resonant magnetic excitation observed in other iron-based superconductors. The results do not support a recent theoretical prediction of spin-triplet p-wave superconductivity in LiFeAs, and instead suggest that the mechanism of superconductivity is similar to that in the other iron-based superconductors.",1104.1609v1 2011-06-02,Cubic to hexagonal iron phase transition promoted by interstitial hydrogen,"Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The impurity creates an internal stress field that can be released through a tetragonal distortion of the lattice, promoting the bcc (ferromagnetic) $\rightarrow$ fcc (frustrated antiferromagnetic) $\rightarrow$ hcp (ferromagnetic) transition. The transformation between crystal systems is accompanied by a drastic magnetic reorganization and sudden variations of the unit cell volume, that can be one of the reasons for embrittlement and mechanical failure of iron upon hydrogen adsorption.",1106.0386v1 2011-09-19,Local Quantum Criticality of an Iron-Pnictide Tetrahedron,"Motivated by the close correlation between transition temperature ($T_c$) and the tetrahedral bond angle of the As-Fe-As layer observed in the iron-based superconductors, we study the interplay between spin and orbital physics of an isolated iron-arsenide tetrahedron embedded in a metallic environment. Whereas the spin Kondo effect is suppressed to low temperatures by Hund's coupling, the orbital degrees of freedom are expected to quantum mechanically quench at high temperatures, giving rise to an overscreened, non-Fermi liquid ground-state. Translated into a dense environment, this critical state may play an important role in the superconductivity of these materials.",1109.4131v2 2011-11-02,Thin Film Growth and Device Fabrication of Iron-Based Superconductors,"Iron-based superconductors have received much attention as a new family of high-temperature superconductors owing to their unique properties and distinct differences from cuprates and conventional superconductors. This paper reviews progress in thin film research on iron-based superconductors since their discovery for each of five material systems with an emphasis on growth, physical properties, device fabrication, and relevant bulk material properties.",1111.0358v1 2011-11-15,The Pressure Effects on Electronic Structure of Iron Chalcogenide Superconductors FeSe$_{1-x}$Te$_x$,"We study the electronic structure of iron-based superconductors FeSe$_{1-x}$Te$_x$ within the density functional theory. We pay particular attention to the pressure effects on the Fermi surface (FS) topology, which seem to be correlated with a critical superconducting temperature TC of iron chalcogenides and pnictides. A reduction of the FS nesting between hole and electron cylinders with increasing pressure is observed, which can lead to higher values of TC . The tellurium substitution into selenium sites yields FS changes similar to the pressure effect.",1111.3523v2 2012-05-15,Magnetic softness in iron-based superconductors,"We examine the relevance of several major material-dependent parameters to the magnetic softness in iron-base superconductors by first-principles electronic structure analysis of their parent compounds. The results are explained in the spin-fermion model where localized spins and orbitally degenerate itinerant electrons coexist and are coupled by Hund's rule coupling. We found that the difference in the strength of the Hund's rule coupling term is the major material-dependent microscopic parameter for determining the ground-state spin pattern. The magnetic softness in iron-based superconductors is essentially driven by the competition between the double-exchange ferromagnetism and the superexchange antiferromagnetism.",1205.3509v1 2012-10-10,Raman scattering in iron-based superconductors,"Iron-based superconducting layered compounds have the second highest transition temperature after cuprate superconductors. Their discovery is a milestone in the history of high-temperature superconductivity and will have profound implications for high-temperature superconducting mechanism as well as industrial applications. Raman scattering has been extensively applied to correlated electron systems including the new superconductors due to its unique ability to probe multiple primary excitations and their coupling. In this review, we will give a brief summary of the existing Raman experiments in the iron-based materials and their implication for pairing mechanism in particular. And we will also address some open issues from the experiments.",1210.2889v1 2013-03-25,TAO pairing: a fully gapped pairing scenario for the Iron-Based Superconductors,"Motivated by the fully gapped superconductivity in iron-based superconductors with uncompensated electron pockets, we propose a spin singlet, but orbital triplet analogue of the superfluid phase of He-3B. We show that orbital triplets with a nominal d-wave symmetry at the iron sites can transform as s-wave pairs under rotations about the selenium sites. Linear combinations of such d$_{xy}$ and d$_{x^{2}-y^{2}}$ triplets form a fully gapped, topological superconductor. Raman-active excitations are predicted to develop below the superconducting transition temperature.",1303.6325v4 2013-11-16,Coexisting Itinerant and Localized Electrons in Iron-Based Superconductors,"The surprising discovery of high-$T_c$ superconductivity in iron-based compounds has prompted an intensive investigation on the role of interaction and magnetism in the these materials. Based on the general features of multi-bands and intermediate coupling strengths, a phenomenological theory of coexisting itinerant and localized electrons has been proposed to describe the low-energy physics in iron-based superconductors. It provides a unified framework to understand magnetic, superconducting, and normal phases, subject to further microscopic justification and experimental verification.",1311.4094v2 2014-01-14,Unconventional superconductivity in iron-base superconductors in a three-band model,"Iron-base superconductors exhibits features of systems where the Fulde-Ferrel-Larkin-Ovchinnikov (FFLO) phase, a superconducting state with non-zero total momentum of Cooper pairs, is actively sought. Experimental and theoretical evidence points strongly to the FFLO phase in these materials above the Pauli limit. In this article we discuss the ground state of iron-base superconductors near the critical magnetic field and the full $h-T$ phase diagram for pnictides in case of intra-band pairing, in a three-band model with $s_{\pm}$ symmetry.",1401.3066v1 2014-02-28,Antiferromagnetism in Iron-Based Superconductors: Selection of Magnetic Order and Quasiparticle Interference,"The recent discovery of superconductivity in the iron-based layered pnictides with T_c ranging between 26 and 56K generated enormous interest in the physics of these materials. Here, we review some of the peculiarities of the antiferromagnetic order in the iron pnictides, including the selection of the stripe magnetic order and the formation of the Ising-nematic state in the unfolded BZ within an itinerant description. In addition we analyze the properties of the quasiparticle interference spectrum in the parent antiferromagnetic phase.",1402.7206v1 2014-08-18,Relativistic configuration-interaction calculation of $Kα$ transition energies in beryllium-like iron,"We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods, the model QED operator approach and the screening-potential approach. The uncertainties of theoretical energies are estimated systematically. The predicted wavelengths of the K\alpha transitions in beryllium-like iron improve previous theoretical results and compare favorably with the experimental data.",1408.3949v1 2015-05-19,Electromagnetic acceleration of permanent magnets,"We consider the acceleration of the permanent magnets, consisting of neodymium iron boron by means of the running magnetic field gradient. It is shown that the specific magnetic moment per nucleon in neodymium iron boron is determined by the remained magnetization of the substance. The maximum accessable gradient of the magnetic field accelerating the permanent magnets is determined by the coercive force thirty kilogauss. For the neodymium iron boron magnets this gradient is equal to twenty kilogauss divided by one centimeter. The finite velocity of the magnets six kilometers per second, the length of acceleration is six hundred thirty-seven meters.",1508.04078v1 2016-02-17,On the analysis of stage I in the resistivity recovery of electron irradiated iron,"The experimental results of Takaki et al. [1] on the stage I resistivity recovery of electron irradiated iron are analyzed using the analytical theory of diffusion annealing formulated by Simpson & Sossin [2] and Schroeder [3] taking into account the recent first-principles calculations of Fu et al. [4] regarding the mobility of interstitials. Excellent agreement between theory and experiment is obtained by a minimal set of adjustable parameters. The results show that the diffusion annealing equations can be successfully employed for the analysis of recovery experiments in iron.",1602.05449v2 2017-09-11,Magnetic order and phase transition in the iron oxysulfide La2O2Fe2OS2,"The Mott-insulating iron oxychalcogenides exhibit complex magnetic behaviour and we report here a neutron diffraction investigation into the magnetic ordering in La2O2Fe2OS2. This quaternary oxysulfide adopts the anti-Sr2MnO2Sb2-type structure and orders antiferromagnetically below TN = 105 K. We consider both its long-range magnetic structure and its magnetic microstructure, and the onset of magnetic order. It adopts the multi-k vector ""2k"" magnetic structure (k = (0.5 0 0.5) and k = (0 0.5 0.5) and has similarities with related iron oxychalcogenides, illustrating the robust nature of the ""2k"" magnetic structure.",1709.03323v1 2018-03-05,Using electron irradiation to probe iron - based superconductors,"High energy electron irradiation is an efficient way to create vacancy-interstitial Frenkel pairs in crystal lattice, thereby inducing controlled non-magnetic point - like scattering centers. In combination with London penetration depth and resistivity measurements, the irradiation was particularly useful as a phase - sensitive probe of the superconducting order parameter in iron - based superconductors lending strongest support to sign - changing $s_{\pm}$ pairing. Here we review the key results on the effect of electron irradiation in iron-based superconductors.",1803.01956v1 2019-03-30,Shot Noise as a probe for the pairing symmetry of Iron pnictide superconductors,"One of the outstanding problems in Iron pnictide research is the unambiguous detection of its pairing symmetry. The most probable candidates are the two-band s$++$ and sign reversed s$\pm$ wave pairing. In this work, the Andreev conductance and shot noise are used as a probe for the pairing symmetry of Iron pnictide superconductors. Clear differences emerge in both the zero bias differential conductance and the shot noise in the tunneling limit for the two cases enabling an effective distinction between the two.",1904.00201v2 2022-04-07,Editorial on Research Topic: High-Tc Superconductivity in Electron-Doped Iron Selenide and Related Compounds,"In this editorial, we first give a brief survey of the field of iron-selenide superconductivity, both in the case of bulk FeSe characterized by the co-existence of superconductivity and nematic order, and in the case of electron-doped FeSe characterized by high-temperature superconductivity. We next review the 8 contributions to the Frontiers in Physics research topic ""High-Tc Superconductivity in Electron-Doped Iron Selenide and Related Compounds"".",2204.03735v2 2022-08-25,Persistent homology analysis with nonnegative matrix factorization for 3D voxel data of iron ore sinters,"This paper proposes a data analysis method using persistent homology and nonnegative matrix factorization. A concatenated persistence image technique is used to extract coexisting structures from the persistence diagrams of different dimensions hidden behind the data. To demonstrate the potential of our method, we apply the method to 3D voxel data of iron ore sinters obtained by X-ray computed tomography. The analysis successfully captures the coexistence structures in these iron ore sinters.",2208.11943v1 2023-02-20,"Triplet pairing, orbital selectivity and correlations in Iron-based superconductors","We use a slave-boson approach to study the band renormalization and pair susceptibility in the normal state of Iron-based superconductors in presence of strong Coulomb repulsion and Hund's interaction. Our results show orbital selectivity toward localization of $xy$ orbitals and its interplay with superconductivity. We also compare the recently proposed triplet resonating valence bond theory of superconductivity in Iron-based superconductors with the more conventional $s_\pm$ pairing and show that both favor a superconductivity when the $xy$ orbital is delocalized.",2302.09702v1 1996-07-03,ASCA observations of the iron K complex of Circinus X-1 near zero phase: spectral evidence for partial covering,"We report on ASCA energy spectra of Cir X-1 taken near its zero phase on 1994 August 4-5. The ASCA SIS detectors allow a more detailed study of the iron K complex than has been possible before. We find that prior to a sudden upward flux transition the dominant iron K feature appears to consist of a large edge from neutral or nearly-neutral iron. The depth of the edge corresponds to an absorption column of about 1.5E24 cm^{-2}, while little absorption over that expected from the Galaxy is seen at lower X-ray energies. The differential absorption at high and low X-ray energies combined with the iron edge energy are strong evidence that partial covering is a crucial determinant of the behaviour observed from Cir X-1. The continuum spectral variability observed by ASCA can also be understood naturally in terms of partial covering column changes. There is evidence for a relatively weak emission line from neutral iron with an equivalent width of only about 65 eV. After the flux transition, the strength of the edge feature is greatly reduced, suggesting a large reduction in the amount of partial covering. For a large region of statistically acceptable chi-squared parameter space, the luminosity of Cir X-1, after correction for partial covering, need not change during the transition. We discuss models for the partial covering and suggest that X-ray scattering by electrons may be important. Aspects of the Cir X-1 spectrum are very similar to those of Seyfert 2 galaxies with Compton-thin tori.",9607018v1 1997-05-19,Iron fluorescence from within the innermost stable orbit of black hole accretion disks,"The fluorescent iron Ka line is a powerful observational probe of the inner regions of black holes accretion disks. Previous studies have assumed that only material outside the radius of marginal stability can contribute to the observed line emission. Here, we show that fluorescence by material inside the radius of marginal stability, which is in the process of spiralling towards the event horizon, can have a observable influence on the iron line profile and equivalent width. For concreteness, we consider the case of a geometrically thin accretion disk, around a Schwarzschild black hole, in which fluorescence is excited by an X-ray source placed at some height above the disk and on the axis of the disk. Fully relativistic line profiles are presented for various source heights and efficiencies. It is found that the extra line flux generally emerges in the extreme red wing of the iron line, due to the large gravitational redshift experienced by photons from the region within the radius of marginal stability. We apply our models to the variable iron line seen in the ASCA spectrum of the Seyfert nucleus MCG-6-30-15. It is found that the change in the line profile, equivalent width, and continuum normalization, can be well explained as being due to a change in the height of the source above the disk. We discuss the implications of these results for distinguishing rapidly-rotating black holes from slowly rotating holes using iron line diagnostics.",9705136v2 2002-02-22,The continuum variability of MCG--6-30-15: A detailed analysis of the long 1999 ASCA observation,"We report on an analysis in the 3--10 keV X-ray band of the long 1999 ASCA observation of MCG--6-30-15. The time-averaged broad iron K line is well-described by disk emission near a Schwarzschild black hole, confirming the results of earlier analyses on the ASCA 1994 and 1997 data. The time-resolved iron-line profile is remarkably stable over a factor of three change in source flux, and the line and continuum fluxes are uncorrelated. Detailed fits to the variable iron-line profile suggest that the active region (parametrized by the best-fit inner and outer radii of the accretion disk) responsible for iron line emission actually narrows with increasing flux to a region around 4--5 r_g. In contrast to the iron line, the power-law continuum exhibits significant variability during the 1999 observation. Time-resolved spectral analysis reveals a new feature in the well-known photon index (Gamma) vs. flux correlation: Gamma appears to approach a limiting value of Gamma ~ 2.1 at high flux. Two models are proposed to explain both the new feature in the Gamma vs. flux correlation and the uncorrelated iron-line flux: a phenomenological two power-law model, and the recently proposed ``thundercloud'' model of Merloni & Fabian (2001). Both models are capable of reproducing the data well, but because they are poorly constrained by the observed Gamma vs. flux relation, they cannot at present be tested meaningfully by the data. The various implications and the physical interpretation of these models are discussed.",0202432v1 2002-09-09,The X-ray spectrum of the Seyfert I galaxy Mrk 766: Dusty Warm Absorber or Relativistic Emission Lines?,"Competing models for broad spectral features in the soft X-ray spectrum of the Seyfert I galaxy Mrk766 are tested against data from a 130 ks XMM-Newton observation. A model including relativistically broadened Ly-alpha emission lines of OVIII, NVII and CVI is a better fit to 0.3-2 keV XMM RGS data than a dusty warm absorber. Moreover, the measured depth of neutral iron absorption lines in the spectrum is inconsistent with the magnitude of the iron edge required to produce the continuum break at 17-18Angstroms in the dusty warm absorber model. The relativistic emission line model can reproduce the broad-band (0.1-12 keV) XMM-EPIC data with the addition of a fourth line to represent emission from ionized iron at 6.7 keV and an excess due to reflection at energies above the iron line. The profile of the 6.7 keV iron line is consistent with that measured for the low energy lines. There is evidence in the RGS data at the 3sigma level for spectral features that vary with source flux. The covering fraction of warm absorber gas is estimated to be ~12%. Iron in the warm absorber is found to be overabundant with respect to CNO compared to solar values.",0209145v1 2005-11-19,Thermal X-Ray Iron Line Emission from the Galactic Center Black Hole Sagittarius A*,"We model thermal X-ray emission from the accreting supermassive black hole Sagittarius A* at the Galactic Center. For the region inside $1.^{\prime\prime}5$ of the center, we use a {generalized} radiatively inefficient accretion flow (RIAF) model, and for the region out to $10^{\prime\prime}$ we use published models of the ambient hot gas. We calculate the equivalent widths of Hydrogen-like and Helium-like emission lines of various elements, notably iron. We predict that a strong Helium-like iron line with an equivalent width $\sim1$ keV should be emitted by both the external medium and the RIAF. The equivalent width in the external medium is sensitive to the metallicity $Z$ of the gas as well as the mean temperature. For reasonable choices of these parameters, the calculated results agree with Chandra's detection of an iron line with an equivalent width of 1.3 keV within $10^{\prime\prime}$. The emission from within $1.^{\prime\prime}5$ is not sensitive to the external temperature, but is sensitive to the density and, especially, temperature profile inside the Bondi radius. For the range of profiles we consider, we calculate the equivalent width of the iron line to be $\sim0.6-1.5 (Z/Z_\odot)$ keV, where $Z_\odot$ is the solar metallicity. We present a new Chandra spectrum of the quiescent emission within $1.^{\prime\prime}5$ of Sgr A*. The measured equivalent width of the iron line is 0.7 keV. Although this measurement has a large uncertainty, it is consistent with our predictions, provided the metallicity of the gas is approximately solar.",0511590v1 2006-06-23,Fe-bump instability: the excitation of pulsations in subdwarf B and other low-mass stars,"We consider the excitation of radial and non-radial oscillations in low-mass B stars by the iron-bump opacity mechanism. The results are significant for the interpretation of pulsations in subdwarf B stars, helium-rich subdwarfs and extreme helium stars, including the EC14026 and PG1716 variables. We demonstrate that, for radial oscillations, the driving mechanism becomes effective by increasing the contrast between the iron-bump opacity and the opacity from other sources. The location of the iron-bump instability boundary depends on the mean molecular weight in the envelope and also on the radial order of the oscillation. A bluer instability boundary is provided by increasing the iron abundance alone, explaining the observed EC14026 variables, and by higher radial order oscillations. We show that the coolest EC14026 variables may vary in the fundamental radial mode, but the hottest variables must be of higher radial order. In considering non-radial oscillations, we demonstrate that g-modes of high radial order and low spherical degree (l<4) may be excited in some blue horizontal branch stars with near-normal composition (Z=0.02). Additional iron enhancement extends the g-mode instability zone to higher effective temperatures and also creates a p-mode instability zone. With sufficient iron, the p-mode and g-mode instability zones overlap, allowing a small region where the EC14026 and PG1716-type variability can be excited simultaneously. However its location is roughly 5000 K too low compared with the observed boundary between EC14026 and PG1716 variables.",0606594v2 2008-03-03,Constraints on grain size and stable iron phases in the uppermost Inner Core from multiple scattering modeling of seismic velocity and attenuation,"We propose to model the uppermost inner core as an aggregate of randomly oriented anisotropic ``patches''. A patch is defined as an assemblage of a possibly large number of crystals with identically oriented crystallographic axes. This simple model accounts for the observed velocity isotropy of short period body waves, and offers a reasonable physical interpretation for the scatterers detected at the top of the inner core. From rigorous multiple scattering modeling of seismic wave propagation through the aggregate, we obtain strong constraints on both the size and the elastic constants of iron patches. We perform a systematic search for iron models compatible with measured seismic velocities and attenuations. An iron model is characterized by its symmetry (cubic or hexagonal), elastic constants, and patch size. Independent of the crystal symmetry, we infer a most likely size of patch of the order of 400 m. Recent {\it bcc} iron models from the literature are in very good agreement with the most probable elastic constants of cubic crystals found in our inversion. Our study (1) suggests that the presence of melt may not be required to explain the low shear wavespeeds in the inner core and (2) supports the recent experimental results on the stability of cubic iron in the inner core, at least in its upper part.",0803.0264v1 2008-06-24,A BLR origin for the iron K$α$ line in NGC7213,"The X-ray spectrum of NGC7213 is known to present no evidence for Compton reflection, a unique result among bright Seyfert 1s. The observed neutral iron K$\alpha$ line, therefore, cannot be associated with a Compton-thick material, like the disc or the torus, but is due to Compton-thin gas, with the Broad Line Region (BLR) as the most likely candidate. To check this hypothesis, a long Chandra HETG observation, together with a quasi-simultaneous optical spectroscopic observation at the ESO NTT EMMI were performed. We found that the iron line is resolved with a FWHM=$2 400^{+1 100}_{-600}$ km/s, in perfect agreement with the value measured for the broad component of the H$\alpha$, $2640^{+110}_{-90}$ km/s. Therefore, NGC7213 is the only Seyfert 1 galaxy whose iron K$\alpha$ line is unambiguously produced in the BLR. We also confirmed the presence of two ionised iron lines and studied them in greater detail than before. The resonant line is the dominant component in the Fe XXV triplet, therefore suggesting an origin in collisionally ionised gas. If this is the case, the blueshift of around 1000 km/s of the two ionised iron lines could be the first measure of the velocity of a starburst wind from its X-ray emission.",0806.3876v1 2008-08-04,Iron pnictides as a new setting for quantum criticality,"Two major themes in the physics of condensed matter are quantum critical phenomena and unconventional superconductivity. These usually occur in the context of competing interactions in systems of strongly-correlated electrons. All this interesting physics comes together in the behavior of the recently discovered iron pnictide compounds that have generated enormous interest because of their moderately high-temperature superconductivity. The ubiquity of antiferromagnetic ordering in their phase diagrams naturally raises the question of the relevance of magnetic quantum criticality, but the answer remains uncertain both theoretically and experimentally. Here we show that the undoped iron pnictides feature a novel type of magnetic quantum critical point, which results from a competition between electronic localization and itinerancy. Our theory provides a mechanism to understand the experimentally-observed variation of the ordered moment among the undoped iron pnictides. We suggest P substitution for As in the undoped iron pnictides as a means to access this new example of magnetic quantum criticality in an unmasked fashion. Our findings point to the iron pnictides as a much-needed new setting for quantum criticality, one that offers a new set of control parameters.",0808.0305v3 2008-09-18,A search for iron emission lines in the Chandra X-ray spectra of neutron star low-mass X-ray binaries,"While iron emission lines are well studied in black hole systems, both in X-ray binaries and Active Galactic Nuclei, there has been less of a focus on these lines in neutron star low-mass X-ray binaries (LMXBs). However, recent observations with Suzaku and XMM-Newton have revealed broad asymmetric iron line profiles in 4 neutron star LMXBs, confirming an inner disk origin for these lines in neutron star systems. Here, we present a search for iron lines in 6 neutron star LMXBs. For each object we have simultaneous Chandra and RXTE observations at 2 separate epochs, allowing for both a high resolution spectrum, as well as broadband spectral coverage. Out of the six objects in the survey, we only find significant iron lines in two of the objects, GX 17+2 and GX 349+2. However, we cannot rule out that there are weak, broad lines present in the other sources. The equivalent width of the line in GX 17+2 is consistent between the 2 epochs, while in GX 349+2 the line equivalent width increases by a factor of ~3 between epochs as the source flux decreases by a factor of 1.3. This suggests that the disk is highly ionized, and the line is dominated by recombination emission. We find that there appears to be no specific locations in the long-term hardness-intensity diagrams where iron emission lines are formed, though more sources and further observations are required.",0809.3171v1 2009-04-01,The nature of the light variability of the silicon star HR 7224,"Although photometric variations of chemically peculiar (CP) stars are frequently used to determine their rotational periods, the detailed mechanism of their light variability remains poorly understood. We simulate the light variability of the star HR 7224 using the observed surface distribution of silicon and iron. We used the TLUSTY model atmospheres calculated for the appropriate silicon and iron abundances to obtain the emergent flux and to predict the rotationally modulated light curve of the star. We also obtained additional photometric measurements and employed our own regression procedure to derive a more precise estimate of the light elements. We show that the light variation of the star can be explained as a result of i) the uneven surface distribution of the elements, ii) the flux redistribution from the ultraviolet to the visible part of the spectrum, and iii) rotation of the star. We show that the silicon bound-free transitions and iron bound-bound transitions provide the main contribution to the flux redistribution, although an additional source of opacity is needed. We confirm that numerous iron lines significantly contribute to the well-known depression at 5200 A and discuss the connection between iron abundance and the value of peculiarity index a. The uneven surface distribution of silicon and iron is able to explain most of the rotationally modulated light variation in the star HR 7224.",0904.0231v1 2011-01-03,Thermal X-ray iron line emission from the advection dominated accretion flow in the galactic binary GX 339-4,"We explore thermal X-ray iron line emission from the galactic X-ray binary GX 339-4 in the off state, using the models of the advection dominated accretion flow (ADAF) without or with outflows. The equivalent widths of hydrogen-like and helium-like thermal iron lines are calculated with different model parameters including viscosity parameter $\alpha$, mass accretion rate at the outer radius of the ADAF $\dot{m}_{\rm out}$ and outflow strength parameter $p$. Our calculations show that the equivalent widths of thermal iron lines emitted from the pure ADAF, i.e., the ADAF without outflows, should be very small, assuming a solar metallicity for the accreting gas in the accretion flow. Strong thermal iron lines are expected to be emitted from the ADAF with relatively strong outflows. {For reasonable choice of parameters, the total equivalent width of the He-like and H-like thermal iron lines reaches to $\gtrsim 500$ eV for accreting gas with solar metallicity. The observation of strong thermal X-ray lines from GX 339-4 at the off state may give a clue to the accretion mode of the source and provide evidence for the presence of outflows/winds in the accretion flow around the black hole in GX 339-4. It is found that the values of $\dot{m}_{\rm out}$ and $p$ are degenerate, i.e., the observed X-ray continuum spectrum can be fairly well reproduced with different sets of the parameters $\dot{m}_{\rm out}$ and $p$. Such {degeneracy} can be broken when the thermal X-ray line emission data is available. We also compare our results with those in the previous similar work.}",1101.0507v1 2011-08-24,The effects of aggregation and protein corona on the cellular internalization of iron oxide nanoparticles,"Engineered inorganic nanoparticles are essential components in the development of nanotechnologies. For applications in nanomedicine, particles need to be functionalized to ensure a good dispersibility in biological fluids. In many cases however, functionalization is not sufficient : the particles become either coated by a corona of serum proteins or precipitate out of the solvent. In the present paper, we show that by changing the coating of iron oxide nanoparticles from a low-molecular weight ligand (citrate ions) to small carboxylated polymers (poly(acrylic acid)), the colloidal stability of the dispersion is improved and the adsorption/internalization of iron towards living mammalian cells is profoundly affected. Citrate-coated particles are shown to destabilize in all fetal-calf-serum based physiological conditions tested, whereas the polymer coated particles exhibit an outstanding dispersibility as well as a structure devoid of protein corona. The interactions between nanoparticles and human lymphoblastoid cells are investigated by transmission electron microscopy and flow cytometry. Two types of nanoparticle/cell interactions are underlined. Iron oxides are found either adsorbed on the cellular membranes, or internalized into membrane-bound endocytosis compartments. For the precipitating citrate-coated particles, the kinetics of interactions reveal a massive and rapid adsorption of iron oxide on the cell surfaces. The quantification of the partition between adsorbed and internalized iron was performed from the cytometry data. The results highlight the importance of resilient adsorbed nanomaterials at the cytoplasmic membrane.",1108.4779v1 2011-09-02,A first-principles study of helium storage in oxides and at oxide--iron interfaces,"Density-functional theory calculations based on conventional as well as hybrid exchange-correlation functionals have been carried out to study the properties of helium in various oxides (Al2O3, TiO2, Y2O3, YAP, YAG, YAM, MgO, CaO, BaO, SrO) as well as at oxide-iron interfaces. Helium interstitials in bulk oxides are shown to be energetically more favorable than substitutional helium, yet helium binds to existing vacancies. The solubility of He in oxides is systematically higher than in iron and scales with the free volume at the interstitial site nearly independently of the chemical composition of the oxide. In most oxides He migration is significantly slower and He--He binding is much weaker than in iron. To quantify the solubility of helium at oxide-iron interfaces two prototypical systems are considered (Fe|MgO, Fe|FeO|MgO). In both cases the He solubility is markedly enhanced in the interface compared to either of the bulk phases. The results of the calculations allow to construct a schematic energy landscape for He interstitials in iron. The implications of these results are discussed in the context of helium sequestration in oxide dispersion strengthened steels, including the effects of interfaces and lattice strain.",1109.0433v2 2012-08-21,Evolution of precipitate morphology during heat treatment and its implications for the superconductivity in KxFe1.6+ySe2 single crystals,"We study the relationship between precipitate morphology and superconductivity in KxFe1.6+ySe2 single crystals grown by self-flux method. Scanning electron microscopy (SEM) measurements revealed that superconducting phase forms a network in the samples quenched above iron vacancy order-disorder transition temperature Ts. For the samples obtained by natural cooling down to room temperature in the furnace, referred to as furnace cooling, superconducting phase aggregates into micrometer-sized rectangular bars and aligns as disconnected chains. Accompanying this change in morphology the superconducting shielding fraction is strongly reduced in the furnace-cooling samples. By post-annealing above Ts followed by quenching in room temperature water, the network recovers with superconducting shielding fraction approaching 80%. A reversible change from network to bar chains was realized by a secondary heat treatment in annealed samples showing large shielding fraction, i.e., heating above Ts followed by slow cooling across Ts. The large shielding fraction observed in KxFe1.6+ySe2 single crystals actually results from a uniform and contiguous distribution of superconducting phase. Through the measurements of temperature dependent x-ray diffraction, it is found that the reflection corresponding to superconducting phase merges into that from iron vacancy ordered phase upon warming. It is a solid solution above Ts, where iron atoms randomly occupy the both Fe1 and Fe2 sites in iron vacancy disordering status. By cooling across Ts, superconducting phase precipitates while iron vacancy ordered phase forms together, suggesting that phase separation in KxFe1.6+ySe2 single crystals is driven by the iron vacancy order-disorder transition.",1208.4159v2 2012-10-24,The Unexpected Properties of Alkali Metal Iron Selenide Superconductors,"The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the presence of weak Hubbard $U$ interactions. This approach seemed appropriate considering the small values of the magnetic moments in the parent compounds and the clear evidence based on photoemission experiments of the required electron and hole pockets. However, recent results in the context of alkali metal iron selenides, with generic chemical composition $A_x$Fe$_{2-y}$Se$_2$ ($A$ = alkali element), have drastically challenged those previous ideas since at particular compositions $y$ the low-temperature ground states are insulating and display antiferromagnetic magnetic order with large iron magnetic moments. Moreover, angle resolved photoemission studies have revealed the absence of hole pockets at the Fermi level in these materials. The present status of this exciting area of research, with the potential to alter conceptually our understanding of the iron-based superconductors, is here reviewed, covering both experimental and theoretical investigations. Other recent related developments are also briefly reviewed, such as the study of selenide two-leg ladders and the discovery of superconductivity in a single layer of FeSe. The conceptual issues considered established for the alkali metal iron selenides, as well as the several issues that still require further work, are discussed in the text.",1210.6501v1 2013-02-08,X-ray diagnostics of chemical composition of the accretion disk and donor star in ultra-compact X-ray binaries,"Non-solar composition of the donor star in ultra-compact X-ray binaries may have a pronounced effect on the fluorescent lines appearing in their spectra due to reprocessing of primary radiation by the accretion disk and the white dwarf surface. We show that the most dramatic and easily observable consequence of the anomalous C/O abundance, is the significant, by more than an order of magnitude, attenuation of the Ka line of iron. It is caused by screening of the presence of iron by oxygen - in the C/O dominated material the main interaction process for a E ~ 7keV photon is absorption by oxygen rather than by iron, contrary to the solar composition case. Ionization of oxygen at high mass accretion rates adds a luminosity dependence to this behavior - the iron line is significantly suppressed only at low luminosity, log(LX) less than 37-37.5, and should recover its nominal strength at higher luminosity. The increase of the EW of the Ka lines of carbon and oxygen, on the other hand, saturates at rather moderate values. Screening by He is less important, due to its low ionization threshold and because in the accretion disk it is mostly ionized. Consequently, in the case of the He-rich donor, the iron line strength remains close to its nominal value, determined by the iron abundance in the accretion disk. This opens the possibility of constraining the nature of donor stars in UCXBs by means of X-ray spectroscopy with moderate energy resolution.",1302.2070v2 2013-03-26,Superconductivity and Crystal Structure of the Palladium-Iron-Arsenides Ca10(Fe1-xPdxAs)10Pd3As8,"The palladium-iron-arsenides Ca10(Fe1-xPdxAs)10(Pd3As8) were synthesized by solid state methods and characterized by X-ray powder and single crystal diffraction. The triclinic crystal structure (space group P-1) is isotypic to the homologue platinum 1038 type superconductors with alternating FeAs4/4- and Pd3As8-layers, each separated by layers of calcium atoms. Iron is tetrahedral and palladium is planar coordinated by four arsenic atoms. As2-dimers (dAs-As = 250 pm) are present in the Pd3As8-layer. Even though each layer itself has a fourfold rotational symmetry, the shifted layer stacking causes the triclinic space group. Resistivity measurements of La-doped samples show the onset of superconductivity at 17 K and zero resistivity below 10 K. The magnetic shielding fraction is about 20 % at 3.5 K. 57Fe-M\""ossbauer spectra exhibit one absorption line and show no hint to magnetic ordering. The electronic structure is very similar to the known iron-arsenides with cylinder-like Fermi surfaces and partial nesting between hole- and electron-like sheets. Our results show that superconductivity in the palladium-iron-compounds is present but complicated by too high substitution of iron by palladium in the active FeAs-layers. Since the electronic preconditions are satisfied, we expect higher critical temperatures in Pd1038-compounds with lower or even without Pd-doping in the FeAs-layer.",1303.6579v1 2013-05-22,Iron abundance correlations and an occurrence distribution discrepancy from ongoing planet migration,"Whether the higher occurrence of giant planets being hosted by metal-rich versus metal-poor stars results from formation or from ""pollution"" has been a question of intense debate. We present new patterns that emerge when planet/star systems are separated by stellar [Fe/H], and when systems with stellar companions are separated out. These differences can best be explained if the onset of high eccentricity planet migration is also a time when planet are sent into merge with the star. Planet migration into the star is likely a complementary explanation to the view that systems with higher initial iron abundance form more planets, and that more crowded planets are more likely to scatter into eccentric orbits. Planets of iron-rich single stars have eccentricity distributions that are higher than planets of iron-poor single stars (where ""rich"" and ""poor"" are stars whose [Fe/H] is above and below solar, respectively). Stars with planets that have a stellar companion comprise a third population of systems in which the stars are preferentially iron-rich. We describe new patterns that are best explained by eccentric planet migration being associated with other planets migrating into the star. Though medium planets are more numerous than giant planets at periods greater than three days, giant planets are more numerous than medium planets at the shortest periods. Since giant planets migrate into the star faster, we show this as evidence of giant planet migration. Planet migration into the star is certain to be an important part of planetary system evolution.",1305.5197v2 2013-11-05,Spin dynamics and an orbital-antiphase pairing symmetry in iron-based superconductors,"The symmetry of the wave function describing the Cooper pairs is one of the most fundamental quantities in a superconductor but its measurement in the iron-based superconductors has proved to be very difficult. The complex multi-band nature of these materials makes the interplay of superconductivity with spin and orbital dynamics very intriguing, leading to very material dependent magnetic excitations, and pairing symmetries. Here we use first-principles many-body method, including ab initio determined two-particle vertex function, to study the spin dynamics and superconducting pairing symmetry in a large number of iron-based superconductors. In iron compounds with high transition temperature, we find both the dispersive high-energy spin excitations, and very strong low energy commensurate or nearly commensurate spin response, suggesting that these low energy spin excitations play the dominate role in cooper pairing. We find three closely competing types of pairing symmetries, which take a very simple form in the space of active iron $3d$ orbitals, and differ only in the relative quantum mechanical phase of the $xz$, $yz$ and $xy$ orbital contributions. The extensively discussed s$^{+-}$ symmetry appears when contributions from all orbitals have equal sign, while the opposite sign in $xz$ and $yz$ orbitals leads to the $d$ wave symmetry. A novel orbital antiphase $s^{+-}$ symmetry emerges when $xy$ orbital has opposite sign to $xz$ and $yz$ orbitals. We propose that this orbital-antiphase pairing symmetry explains the puzzling variation of the experimentally observed superconducting gaps on all the Fermi surfaces of LiFeAs. This novel symmetry of the order parameter may be realized in other iron superconductors.",1311.1188v1 2013-12-04,Mössbauer studies of the peculiar magnetism in parent compounds of the iron-based superconductors,"A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te parent of the 11 family one has a transversal SDW and magnetic order of the interstitial iron with relatively high and localized magnetic moments. These two systems are strongly coupled one to another. For the grand parent of the iron-based superconductors FeAs one observes two mutually orthogonal phase-related transversal SDW on the iron sites. There are two sets of such spin arrangements due to two crystallographic iron sites. The FeAs exhibits the highest covalency among compounds studied, but it has still a metallic character.",1312.1152v1 2014-02-25,"C/O abundance ratios, iron depletions, and infrared dust features in Galactic planetary nebulae","We study the dust present in 56 Galactic planetary nebulae (PNe) through their iron depletion factors, their C/O abundance ratios (in 51 objects), and the dust features that appear in their infrared spectra (for 33 objects). Our sample objects have deep optical spectra of good quality, and most of them also have ultraviolet observations. We use these observations to derive the iron abundances and the C/O abundance ratios in a homogeneous way for all the objects. We compile detections of infrared dust features from the literature and we analyze the available Spitzer/IRS spectra. Most of the PNe have C/O ratios below one and show crystalline silicates in their infrared spectra. The PNe with silicates have C/O < 1, with the exception of Cn 1-5. Most of the PNe with dust features related to C-rich environments (SiC or the 30 {\mu}m feature usually associated to MgS) have C/O $\gtrsim$ 0.8. PAHs are detected over the full range of C/O values, including 6 objects that also show silicates. Iron abundances are low in all the objects, implying that more than 90% of their iron atoms are deposited into dust grains. The range of iron depletions in the sample covers about two orders of magnitude, and we find that the highest depletion factors are found in C-rich objects with SiC or the 30 {\mu}m feature in their infrared spectra, whereas some of the O-rich objects with silicates show the lowest depletion factors.",1402.6376v1 2014-12-12,Electronic structure of ruthenium-doped iron chalcogenides,"The structural and electronic properties of hypothetical Ru$_x$Fe$_{1-x}$Se and Ru$_x$Fe$_{1-x}$Te systems have been investigated from first principles within the density functional theory (DFT). Reasonable values of lattice parameters and chalcogen atomic positions in the tetragonal unit cell of iron chalcogenides have been obtained with the use of norm-conserving pseudopotentials. The well known discrepancies between experimental data and DFT-calculated results for structural parameters of iron chalcogenides are related to the semicore atomic states which were frozen in the used here approach. Such an approach yields valid results of the electronic structures of the investigated compounds. The Ru-based chalcogenides exhibit the same topology of the Fermi surface (FS) as that of FeSe, differing only in subtle FS nesting features. Our calculations predict that the ground states of RuSe and RuTe are nonmagnetic, whereas those of the solid solutions Ru$_x$Fe$_{1-x}$Se and Ru$_x$Fe$_{1-x}$Te become the single- and double-stripe antiferromagnetic, respectively. However, the calculated stabilization energy values are comparable for each system. The phase transitions between these magnetic arrangements may be induced by slight changes of the chalcogen atom positions and the lattice parameters $a$ in the unit cell of iron selenides and tellurides. Since the superconductivity in iron chalcogenides is believed to be mediated by the spin fluctuations in single-stripe magnetic phase, the Ru$_x$Fe$_{1-x}$Se and Ru$_x$Fe$_{1-x}$Te systems are good candidates for new superconducting iron-based materials.",1412.3961v1 2015-04-08,Testing the Kerr Nature of Black Hole Candidates using Iron Line Spectra in the CPR Framework,"The iron K$\alpha$ line commonly observed in the X-ray spectrum of both stellar-mass and supermassive black hole candidates originates from X-ray fluorescence of the inner accretion disk. Accordingly, it can be used to map the spacetime geometry around these objects. In this paper, we extend previous work using the iron K$\alpha$ line to test the Kerr black hole hypothesis. We adopt the Cardoso-Pani-Rico parametrization and we test the possibility of constraining possible deviations from the Kerr solution that can be obtained from observations across the range of black hole spins and inclination angles. We confirm previous claims that the iron K$\alpha$ line is potentially a quite powerful probe for testing the Kerr metric given sufficiently high quality data and with systematics under control, especially in the case of fast-rotating black holes and high inclination angles since both conditions serve to maximize relativistic effects. We find that some geometric perturbations from Kerr geometry manifest more strongly in the iron line profile than others. While the perturbation parameter $\epsilon^t_3$ can be well constrained by the iron line profile, an orthogonal data set is necessary to constrain departures from Kerr geometry in $\epsilon^r_3$.",1504.01970v2 2015-06-10,Structural disorder in Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 superconductors studied by Mössbauer spectroscopy,"Two iron-chalcogenide superconductors Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 in the as-prepared and annealed state have been investigated by means of the Moessbauer spectroscopy versus temperature. Multi-component spectra are obtained. One can see a non-magnetic component due to iron located in the unperturbed Fe-Se sheets responsible for superconductivity. Remaining components are magnetically ordered even at room temperature. There is some magnetically ordered iron in Fe-Se sheets perturbed by presence of the iron vacancies. Additionally, one can see iron dispersed between sheets in the form of magnetically ordered high spin trivalent ions, some clusters of above ions, and in the case of pyridine intercalated compound in the form of alpha-Fe precipitates. Pyridine intercalated sample shows traces of superconductivity in the as-prepared state, while cesium intercalated sample in the as-prepared state does not show any superconductivity. Superconductors with transition temperatures being 40 K and 25 K, respectively, are obtained upon annealing. Annealing leads to removal/ordering of the iron vacancies within Fe-Se sheets, while clusters of alpha-Fe grow in the pyridine intercalated sample.",1506.03390v2 2015-12-02,"The iron dispersion of the globular cluster M 2, revised","M 2 has been claimed to posses three distinct stellar components that are enhanced in iron relative to each other. We use equivalent width measurements from 14 red giant branch stars from which Yong et al. detect a $\sim$0.8 dex wide, trimodal iron distribution to redetermine the metallicity of the cluster. In contrast to Yong et al., which derive atmospheric parameters following only the classical spectroscopic approach, we perform the chemical analysis using three different methods to constrain effective temperatures and surface gravities. When atmospheric parameters are derived spectroscopically, we measure a trimodal metallicity distribution, that well resembles that by Yong et al. We find that the metallicity distribution from Fe II lines strongly differs from the distribution obtained from Fe I features when photometric gravities are adopted. The Fe I distribution mimics the metallicity distribution obtained using spectroscopic parameters, while the Fe II shows the presence of only two stellar groups with metallicity [Fe/H]$\simeq$-1.5 and -1.1 dex, which are internally homogeneous in iron. This finding, when coupled with the high-resolution photometric evidence, demonstrates that M 2 is composed by a dominant population ($\sim$99%) homogeneous in iron and a minority component ($\sim$1%) enriched in iron with respect to the main cluster population.",1512.00691v1 2016-02-16,Role of Arsenic in Iron-based Superconductivity at Atomic Scale,"In iron-based superconductors, a unique tri-layer Fe-As (Se, Te, P) plays an essential role in controlling the electronic properties, especially the Cooper pairing interaction. Here we use scanning tunneling microscopy/spectroscopy (STM/S) to investigate the role of arsenic atom in superconducting Ba0.4K0.6Fe2As2 by directly breaking and restoring the Fe-As structure at atomic scale. After the up-As-layer peeled away, the tunneling spectrum of the exposed iron surface reveals a shallow incoherent gap, indicating a severe suppression of superconductivity without arsenic covering. When a pair of arsenic atoms is placed on such iron surface, a localized topographic feature is formed due to Fe-As orbital hybridization, and the superconducting coherent peaks recover locally with the gap magnitude the same as that on the iron-layer fully covered by arsenic. These observations unravel the Fe-As interactions on an atomic scale and imply its essential roles in the iron-based superconductivity.",1602.04956v2 2016-08-03,High-temperature miscibility of iron and rock during terrestrial planet formation,"The accretion of a terrestrial body and differentiation of its silicate/oxide mantle from iron core provide abundant energy for heating its interior to temperatures much higher than the present day Earth. The consequences of differentiation on the structure and composition of planets are typically addressed considering only the interaction of molten iron with an immiscible `rocky' phase. We demonstrate that mixing in a representative system of liquid or solid MgO and liquid iron to a single homogeneous liquid occurs at sufficiently low temperature to be present in the aftermath of a giant impact. Applying the thermodynamic integration technique to density functional theory molecular dynamics simulations, we determine the solvus closure temperature for the Fe-MgO system for pressures up to 400 GPa. Solvus closure occurs at $\sim$4000 K at low pressure, and has a weak positive pressure dependence, such that its gradient with respect to depth is less steep than an adiabatic temperature profile. This predicts a new mode of core-mantle differentiation following the most energetic giant impacts, with exsolution of iron from the mixture beginning in the outer layers of the planet. We demonstrate that high-temperature equilibration results in delivery of nominally insoluble Mg-rich material to the early core. Since MgO is the least soluble major mantle component in iron at low temperatures, these results may represent an upper bound on temperature for mixing in terrestrial planets.",1608.01295v1 2017-11-27,Solar abundance ratios of the iron-peak elements in the Perseus Cluster,"The metal abundance of the hot plasma that permeates galaxy clusters represents the accumulation of heavy elements produced by billions of supernovae. Therefore, X-ray spectroscopy of the intracluster medium provides an opportunity to investigate the nature of supernova explosions integrated over cosmic time. In particular, the abundance of the iron-peak elements (chromium, manganese, iron and nickel) is key to understanding how the progenitors of typical type Ia supernovae evolve and explode. Recent X-ray studies of the intracluster medium found that the abundance ratios of these elements differ substantially from those seen in the Sun, suggesting differences between the nature of type Ia supernovae in the clusters and in the Milky Way. However, because the K-shell transition lines of chromium and manganese are weak and those of iron and nickel are very close in photon energy, high-resolution spectroscopy is required for an accurate determination of the abundances of these elements. Here we report observations of the Perseus cluster, with statistically significant detections of the resonance emission from chromium, manganese and nickel. Our measurements, combined with the latest atomic models, reveal that these elements have near-solar abundance ratios with respect to iron, in contrast to previous claims. Comparison between our results and modern nucleosynthesis calculations disfavours the hypothesis that type Ia supernova progenitors are exclusively white dwarfs with masses well below the Chandrasekhar limit (about 1.4 times the mass of the Sun). The observed abundance pattern of the iron-peak elements can be explained by taking into account a combination of near- and sub-Chandrasekhar-mass type Ia supernova systems, adding to the mounting evidence that both progenitor types make a substantial contribution to cosmic chemical enrichment.",1711.10035v1 2017-12-15,"Tunable polymorphism of epitaxial iron oxides in the four-in-one ferroic-on-GaN system with magnetically ordered α-, γ-, ε-Fe2O3 and Fe3O4 layers","Hybridization of semiconducting and magnetic materials into a single heterostructure is believed to be potentially applicable to the design of novel functional spintronic devices. In the present work we report epitaxial stabilization of four magnetically ordered iron oxide phases (Fe3O4, {\gamma}-Fe2O3, {\alpha}-Fe2O3 and most exotic metastable {\epsilon}-Fe2O3) in the form of nanometer sized single crystalline films on GaN(0001) surface. The epitaxial growth of as many as four distinctly different iron oxide phases is demonstrated within the same single-target Laser MBE technological process on a GaN semiconductor substrate widely used for electronic device fabrication. The discussed iron oxides belong to a family of simple formula magnetic materials exhibiting a rich variety of outstanding physical properties including peculiar Verwey and Morin phase transitions in Fe3O4 and {\alpha}-Fe2O3 and multiferroic behavior in metastable magnetically hard {\epsilon}-Fe2O3 ferrite. The physical reasons standing behind the nucleation of a particular phase in an epitaxial growth process deserve interest from the fundamental point of view. The practical side of the presented study is to exploit the tunable polymorphism of iron oxides for creation of ferroic-on-semiconductor heterostructures usable in novel spintronic devices. By application of a wide range of experimental techniques the surface morphology, crystalline structure, electronic and magnetic properties of the single phase iron oxide epitaxial films on GaN have been studied. A comprehensive comparison has been made to the properties of the same ferrite materials in the bulk and nanostructured form reported by other research groups.",1712.05632v1 2018-05-02,The Problem of the High Iron Abundance in Accretion Disks around Black Holes,"In most accreting black-hole systems the copious X-rays commonly observed from the inner-most regions are accompanied by a reflection spectrum. The latter is the signature of energetic photons reprocessed by the optically thick material of an accretion disk. Given their abundance and fluorescence yield, the iron K-shell lines are the most prominent features in the X-ray reflected spectrum. Their line profiles can be grossly broadened and skewed by Doppler effects and gravitational redshift. Consequently, modeling the reflection spectrum provides one of the best methods to measure, among other physical quantities, the black-hole spin. At present the accuracy of the spin estimates is called into question because the data fits require very high iron abundances: typically several times the solar value. Concurrently no plausible physical explanation has been proffered for these black-hole systems to be so iron rich. The most likely explanation for the supersolar iron abundances is model shortfall at very high densities ($>10^{18}$ cm$^{-3}$) due to atomic data shortcomings in this regime. We review the current observational evidence for the iron supersolar abundance in many black-hole systems, and show the effects of high density in state-of-the-art reflection models. We also briefly discuss our current efforts to produce new atomic data for high-density plasmas, which are required to refine the photoionization models.",1805.00581v1 2018-10-25,"Limits on stable iron in Type$\,$Ia supernovae from NIR spectroscopy","We obtained optical and near-infrared spectra of Type$\,$Ia supernovae (SNe$\,$Ia) at epochs ranging from 224 to 496 days after the explosion. The spectra show emission lines from forbidden transitions of singly ionised iron and cobalt atoms. We used non-local thermodynamic equilibrium (NLTE) modelling of the first and second ionisation stages of iron, nickel, and cobalt to fit the spectra using a sampling algorithm allowing us to probe a broad parameter space. We derive velocity shifts, line widths, and abundance ratios for iron and cobalt. The measured line widths and velocity shifts of the singly ionised ions suggest a shared emitting region. Our data are fully compatible with radioactive $^{56}$Ni decay as the origin for cobalt and iron. We compare the measured abundance ratios of iron and cobalt to theoretical predictions of various SN$\,$Ia explosion models. These models include, in addition to $^{56}$Ni, different amounts of $^{57}$Ni and stable $^{54,56}$Fe. We can exclude models that produced only $^{54,56}$Fe or only $^{57}$Ni in addition to $^{56}$Ni. If we consider a model that has $^{56}$Ni, $^{57}$Ni, and $^{54,56}$Fe then our data imply that these ratios are $^{54,56}$Fe / $^{56}$Ni $=0.272\pm0.086$ and $^{57}$Ni / $^{56}$Ni $=0.032\pm0.011$.",1810.10781v1 2019-02-06,Partial order induced superconductivity in $Fe^{2+}$ iron,"In this letter, we address a novel mechanism for iron based superconductors. We study $F^{2+}$ state of iron with six 3d electrons. Five of them are localized with ferromagnetic order, while the sixth one is itinerant antiparallel with the localized ones. We consider spin-fermion model of 3d electrons and show that one can fix the parameters in the theory so that the calculated magnetization to match the experimentally measured one. With these parameters in mind we show that the sixth 3d electrons have well defined Fermi surfaces, therefore the material is metal. Further on we consider an iron prepared by means of applied external magnetic field upon a cooling. We assume that the applied magnetic field is along the magnetic order of localized 3d electrons and antiparallel to the magnetic order of the itinerant sixth electron. Therefore the applied field decreases the Zeeman splitting of spin-up and spin-down sixth electrons. We focus on quantum partial order (QPO) state which is obtained when the applied field compensates the Zeeman splitting so that the sixth 3d electrons do not contribute the magnetism of iron and magnetic order is formed by means of localized 3d electrons. We obtain an effective Hamiltonian for iron in (QPO) state and show that it posses a spin triplet superconductivity with $T_{1u}$ configuration.",1902.02290v2 2020-05-27,Prediction of exotic magnetic states in the alkali metal quasi-one-dimensional iron selenide compound Na$_2$FeSe$_2$,"The magnetic and electronic phase diagram of a model for the quasi-one-dimensional alkali metal iron selenide compound Na$_2$FeSe$_2$ is presented. The novelty of this material is that the valence of iron is Fe$^{2+}$ contrary to most other iron-chain compounds with valence Fe$^{3+}$. Using first-principles techniques, we developed a three-orbital tight-binding model that reproduces the {\it ab initio} band structure near the Fermi level. Including Hubbard and Hund couplings and studying the model via the density matrix renormalization group and Lanczos methods, we constructed the ground state phase diagram. A robust region where the block state $\uparrow \uparrow \downarrow \downarrow \uparrow \uparrow \downarrow \downarrow$ is stabilized was unveiled. The analog state in iron ladders, employing 2$\times$2 ferromagnetic blocks, is by now well-established, but in chains a block magnetic order has not been observed yet in real materials. The phase diagram also contains a large region of canonical staggered spin order $\uparrow \downarrow \uparrow \downarrow \uparrow \downarrow \uparrow$ at very large Hubbard repulsion. At the block to staggered transition region, a novel phase is stabilized with a mixture of both states: an inhomogeneous orbital-selective charge density wave with the exotic spin configuration $\uparrow \uparrow \downarrow \uparrow \downarrow \downarrow \uparrow \downarrow$. Our predictions for Na$_2$FeSe$_2$ may guide crystal growers and neutron scattering experimentalists towards the realization of block states in one-dimensional iron-selenide chain materials.",2005.13132v1 2020-10-01,Molecular Dynamics Simulation for the Analysis of Mechanical Properties and Effect of Stone-Wales and BiVacancy Defect on Carbon Nanotube Reinforced Iron Composites,"Carbon nanotube (CNT) reinforced metal matrix composites (MMCs) are gaining the attention of the researchers because of their demand in space and automobile industries for having low weight and high mechanical properties. Iron is the most used metal in all engineering fields. Therefore, reinforcing iron with CNT can reduce its required amount, which might have a positive economic impact due to the reduced cost of production. However, before the industrial application of any material the mechanical properties under different conditions must be known. In this study, the mechanical properties of iron reinforced separately with single, double and triple wall CNTs are investigated by Molecular Dynamics (MD) simulation. The study revealed that the strength and stiffness of pure iron could be enhanced up to 80.4 % and 57.4 %, respectively, by adding CNTs into iron. We also investigated the effect of fiber volume percentage and temperature on the mechanical properties of the composite having single, double and triplewalled carbon nanotubes individually. As the stone-wales and bi-vacancy defects are inherently introduced in CNTs during manufacturing, their effect on mechanical properties are also investigated in the present study",2010.00275v1 2021-01-19,"Quantitative analysis of iron sand mineral content from the south coast of Cidaun, West Java using rietveld refinement method","Iron sand is one of the abundant natural resources in Indonesia, especially on the south coast of Cidaun; West Java which is the basic material for building and metal industry. Iron mineral content is generally metal oxide such as magnetite, hematite and silica/quartz. Sand with iron content used in this study is derived from beach sand Desa Kertajadi, Kecamatan Cidaun, Kabupaten Cianjur, Jawa Barat. Then mass of 2 kg sand was separated using a magnetic separator in order to obtain magnetic and nonmagnetic mineral content. After nine rounds of separation takes two different types of samples that are no separation sand (TS) sample and concentrate in the third separation (S3) sample. The sample is then examined by X-Ray Diffraction (XRD) measurement and analyzed quantitatively using MAUD software to determine the content of Fe3O4 (magnetite) by using the Rietveld refinement method from XRD data. As the analysis result, the magnetite content contained in iron sand is counted quantitatively for each different sample. For iron sand samples (TS) yielding a 24.27 percent of magnetite and a third concentrate separation sample (S3) yields 61.98 percent.",2101.10442v1 2021-10-20,"Manifestations of Spinodal Decomposition into Dilute Pd$_{1-x}$Fe$_{x}$ ""Phases"" in Iron-Implanted Palladium Films: FMR Study","Palladium-iron alloys produced by high-dose implantation of iron ions into epitaxial palladium films were investigated with the ferromagnetic resonance (FMR) and vibrating sample magnetometry (VSM) techniques. The samples reveal distinct multiple FMR responses depending on the dose of iron ion implantation. The post-implantation annealing at 770 K does not bring the implanted films to a homogeneous solid solution state, as might be expected from the Pd-Fe phase diagram. On the contrary, the system approaches a stable state composed of several magnetic phases. FMR spectra exhibit an angular behavior specific for a stack of interacting magnetic layers. This observation, correlated with the magnetometry data, indicates that the palladium-iron binary alloy has a previously unknown tendency towards spinodal decomposition into isostructural phases with well-defined iron concentrations and, accordingly, with different temperatures of ferromagnetic ordering and saturation magnetizations.",2110.10397v1 2021-11-02,Structure and motifs of iron oxides from 1 to 3 TPa,"Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and properties under high pressure can help us identify many new phases and states possible in exoplanetary interiors, especially terrestrial ones. Using the adaptive genetic algorithm (AGA), we investigate the structure of iron oxides for a wide range of stoichiometries ($0.25\leq x_O \leq 0.8$) at 1, 2, and 3 TPa. Five unreported ground-state structures with Fe$_2$O, FeO, Fe$_3$O$_5$, FeO$_2$, and FeO$_4$ compositions are identified. The calculated density of states (DOS) suggests that, except for FeO$_4$, all phases are metallic, but their carrier densities decrease with increasing pressure and oxygen content. The cluster alignment analysis of stable and metastable phases shows that several motifs may co-exist in a structure of iron oxides with low O content. In contrast, most iron oxides with high O content adopt a simple BCC motif at TPa pressures. Our results provide a crystal structure database of iron oxides for modeling and understanding the interiors of exoplanets.",2111.01305v2 2022-01-07,Online 3-Axis Magnetometer Hard-Iron and Soft-Iron Bias and Angular Velocity Sensor Bias Estimation Using Angular Velocity Sensors for Improved Dynamic Heading Accuracy,"This article addresses the problem of dynamic on-line estimation and compensation of hard-iron and soft-iron biases of 3-axis magnetometers under dynamic motion in field robotics, utilizing only biased measurements from a 3-axis magnetometer and a 3-axis angular rate sensor. The proposed magnetometer and angular velocity bias estimator (MAVBE) utilizes a 15-state process model encoding the nonlinear process dynamics for the magnetometer signal subject to angular velocity excursions, while simultaneously estimating 9 magnetometer bias parameters and 3 angular rate sensor bias parameters, within an extended Kalman filter framework. Bias parameter local observability is numerically evaluated. The bias-compensated signals, together with 3-axis accelerometer signals, are utilized to estimate bias compensated magnetic geodetic heading. Performance of the proposed MAVBE method is evaluated in comparison to the widely cited magnetometer-only TWOSTEP method in numerical simulations, laboratory experiments, and full-scale field trials of an instrumented autonomous underwater vehicle in the Chesapeake Bay, MD, USA. For the proposed MAVBE, (i) instrument attitude is not required to estimate biases, and the results show that (ii) the biases are locally observable, (iii) the bias estimates converge rapidly to true bias parameters, (iv) only modest instrument excitation is required for bias estimate convergence, and (v) compensation for magnetometer hard-iron and soft-iron biases dramatically improves dynamic heading estimation accuracy.",2201.02449v1 2022-10-19,GRB 180325A: dust grain-size distribution and interstellar iron nanoparticles contribution,"We modelled dust grain-size distributions for carbonaceous and silicates dust, as well as for free-flying iron nanoparticles in the environment of a $\gamma$-ray burst (GRB) afterglow, GRB 180325A. This GRB, at $z=2.2486$, has an unambiguous detection of the 2175 \r{A} extinction feature with $R_V=4.58$ and $A_V=1.58$. In addition to silicates, polycyclic aromatic hydrocarbons (PAH), and graphite, we used iron nanoparticles grain-size distributions for the first time to model the observed extinction curve of GRB 180325A. We fit the observed extinction for four model permutations, using 232 sets of silicates, graphite, carbon abundance in hydrocarbon molecules ($b_C$), and fraction of iron abundance in free-flying nanoparticles ($b_{\text{Fe}}$). These four different permutations were chosen to test iron nanoparticles significance and carbon abundance in hydrocarbons. Our results indicate that iron nanoparticles contribution is insignificant and there is a degeneracy of carbon abundances, with the range $(0.0 \leq b_C \leq 0.7)\times10^{-5}$ providing the best-fit to the observed extinction curve of GRB 180325A. We therefore favour the simplest model of silicates and polycyclic aromatic hydrocarbons. The silicates are dominant and contribute to the entire wavelength range of the GRB extinction curve while graphite contributes towards both the 2175 \r{A} bump and the UV extinction. The afterglow peak luminosity ($1.5\times10^{51}$ ergs/s) indicates dust destruction may have taken place. We conclude that further investigations into other potential contributors of extinction are warranted, particularly for steep UV extinction.",2210.10423v1 2023-01-30,The Curie line in protoplanetary disks and the formation of Mercury-like planets,"In laboratory experiments, we heated chondritic material up to 1400K in a hydrogen atmosphere. Moessbauer spectroscopy and magnetometry reveal that, at high temperatures, metallic iron forms from silicates. The transition temperature is about 1200K after 1 h of tempering, likely decreasing to about 1000K for longer tempering. This implies that in a region of high temperatures within protoplanetary disks, inward drifting solids will generally be a reservoir of metallic iron. Magnetic aggregation of iron-rich matter then occurs within the magnetic field of the disk. However, the Curie temperature of iron, 1041 K, is a rather sharp discriminator that separates the disk into a region of strong magnetic interactions of ferromagnetic particles and a region of weak paramagnetic properties. We call this position in the disk the Curie line. Magnetic aggregation will be turned on and off here. On the outer, ferromagnetic side of the Curie line, large clusters of iron-rich particles grow and might be prone to streaming instabilities. To the inside of the Curie line, these clusters dissolve, but that generates a large number density that might also be beneficial for planetesimal formation by gravitational instability. One way or the other, the Curie line may define a preferred region for the formation of iron-rich bodies.",2301.12910v1 2023-02-28,Correlating Chemical Reaction and Mass Transport in Hydrogen-based Direct Reduction of Iron Oxide,"Steelmaking contributes 8% to the total CO2 emissions globally, primarily due to coal-based iron ore reduction. Clean hydrogen-based ironmaking has variable performance because the dominant gas-solid reduction mechanism is set by the defects and pores inside the mm-nm sized oxide particles that change significantly as the reaction progresses. While these governing dynamics are essential to establish continuous flow of iron and its ores through reactors, the direct link between agglomeration and chemistry is still contested due to missing measurements. In this work, we directly measure the connection between chemistry and agglomeration in the smallest iron oxides relevant to magnetite ores. Using synthesized spherical 10-nm magnetite particles reacting in H2, we resolve the formation and consumption of w\""ustite (FeO) - the step most commonly attributed to agglomeration. Using X-ray scattering and microscopy, we resolve crystallographic anisotropy in the rate of the initial reaction, which becomes isotropic as the material sinters. Complementing with imaging, we demonstrate how the particles self-assemble, subsequently react and sinter into ~100x oblong grains. Our insights into how morphologically uniform iron oxide particles react and agglomerate H2 reduction enable future size-dependent models to effectively describe the multiscale iron ore reduction.",2302.14215v2 2023-04-26,The width-flux relation of the broad iron line during the state transition of the black hole X-ray binaries,"The observation of varying broad iron lines during the state transition of the black hole X-ray binaries (BHXBs) have been accumulating.In this work, the relation between the normalized intensity and the width of iron lines is investigated, in order to understand better the variation of iron lines and possibly its connection to state transition. Considering the uncertainties due to ionization and illuminating X-rays, only the effects of geometry and gravity are taken into account. Three scenarios were studied, i.e., the continuous disk model, innermost annulus model, and the cloud model. As shown by our calculations, at given iron width, the line flux of the cloud model is smaller than that of the continuous disk model; while for the innermost annulus model, the width is almost unrelated with the flux. The range of the line strength depends on both the BH spin and the inclination of the disk. We then apply to the observation of MAXI J1631-479 by NuSTAR during its decay from the soft state to the intermediate state. We estimated the relative line strength and width according to the spectral fitting results by Xu et al.(2020), and then compared with our theoretical width-flux relation. It was found that the cloud model was more favored. We further modeled the iron line profiles, and found that the cloud model can explain both the line profile and its variation with reasonable parameters.",2304.13358v1 2023-05-09,Reproduction Experiments of Radial Pyroxene Chondrules Using a Gas-jet Levitation System under Reduced Conditions,"Reproduction experiments of radial pyroxene (RP) chondrules were carried out using an Ar-$\mathrm{H_2}$ or Ar gas-jet levitation system in a reducing atmosphere in order to simulate chondrule formation in the protoplanetary disk. The experiments reproduced RP-chondrule textures, consisting of sets of thin pyroxene crystals and mesostasis glass between crystals. However, iron partition coefficients between pyroxene and glassy mesostasis ($\rm{D_{Fe}}$ = Fe mol$\rm{\%_{pyroxene}}$ / Fe mol$\rm{\%_{mesostasis}}$) in natural RP chondrules were much higher than that in experimentally reproduced RP chondrules. The high $\rm{D_{Fe}}$ in natural RP chondrules suggest that iron was removed from the mesostasis melt at high temperatures after the growth of pyroxene crystals. We found that many small iron-metal inclusions had formed in the mesostasis glass, indicating that FeO in the high-temperature melt of mesostasis was reduced to metallic iron, and iron in the mesostasis diffused into the newly formed metal inclusions. The formation of the iron-metal inclusions in the mesostasis was reproduced by our experiments in a reducing atmosphere, confirming that $\rm{D_{Fe}}$ in natural RP chondrules increased after the growth of RP crystals. Therefore, the $\rm{D_{Fe}}$ of RP chondrules can be an indicator to constrain cooling rates and redox states during chondrule formation.",2305.05787v4 2023-07-31,Trading oxygen for iron I: the [O/Fe] -- specific star formation rate relation of galaxies,"Our current knowledge of star-forming metallicity relies primarily on gas-phase oxygen abundance measurements. This may not allow one to accurately describe differences in stellar evolution and feedback driven by variations in iron abundance. $\alpha$-elements (such as oxygen) and iron are produced by sources that operate on different timescales and the link between them is not straightforward. We explore the origin of the [O/Fe] - specific SFR (sSFR) relation, linking chemical abundances to galaxy formation timescales. This relation is followed by star-forming galaxies across redshifts according to cosmological simulations and basic theoretical expectations. Its apparent universality makes it suitable for trading the readily available oxygen for iron abundance. The relation is determined by the relative iron production efficiency of core-collapse and type Ia supernovae and the delay time distribution of the latter -- uncertain factors that could be constrained empirically with the [O/Fe]-sSFR relation. We compile and homogenise a literature sample of star-forming galaxies with observational iron abundance determinations to place first constraints on the [O/Fe]-sSFR relation over a wide range of sSFR. The relation shows a clear evolution towards lower [O/Fe] with decreasing sSFR and a flattening above log(sSFR/yr)>-9. The result is broadly consistent with expectations, but better constraints are needed to inform the models. We independently derive the relation from old Milky Way stars and find a remarkable agreement between the two, as long as the recombination-line absolute oxygen abundance scale is used in conjunction with stellar metallicity measurements.",2308.00023v1 2023-08-28,"R-Matrix calculations for opacities.II. Photoionization and oscillator strengths of iron ions FeXVII, FeXVIII and FeXIX","Iron is the dominant heavy element that plays an important role in radiation transport in stellar interiors. Owing to its abundance and large number of bound levels and transitions, iron ions determine the opacity more than any other astrophysically abundant element. A few iron ions constitute the abundance and opacity of iron at the base of the convection zone (BCZ) at the boundary between the solar convection and radiative zones, and are the focus of the present study. Together, FeXVII, FeXVIII and FeXIX contribute 85\% of iron ion fractions 20\%, 39\% and 26\% respectively, at the BCZ physical conditions. We report heretofore the most extensive R-matrix atomic calculations for these ions for bound-bound and bound-free transitions, the two main processes of radiation absorption. We consider wavefunction expansions with 218 target or core ion fine structure levels of FeXVIII for FeXVII, 276 levels of FeXIX for FeXVIII, in the Breit-Pauli R-matrix (BPRM) approximation, and 180 LS terms (equivalent to 415 fine structure levels) of FeXX for FeXIX calculations. These large target expansions which includes core ion excitations to n=2,3,4 complexes enable accuracy and convergence of photoionization cross sections, as well as inclusion of high lying resonances. Photoionization cross sections have obtained for all bound fine structure levels of FeXVII and FeXVIII, and for 900 bound LS states of FeXIX. Selected results demonstrating prominent characteristic features of photoionization are presented, particularly the strong Seaton PEC (photoexcitation-of-core) resonances formed via high-lying core excitations with $\Delta n=1$ that significantly impact bound-free opacity.",2308.14854v1 2023-09-05,"Calculated iron $L_{2,3}$ x-ray absorption and XMCD of spin-crossover Fe(phen)$_{2}$(NCS)$_{2}$ molecule adsorbed on Cu(001) surface","The PAW method has been used to compute the iron L$_{2,3}$ edges of x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism (XMCD) of the spin-crossover Fe(phen)$_{2}$(NCS)$_{2}$ molecule when adsorbed on Cu(001) surface and in the gas phase, for both the high spin (HS) and low spin (LS) states. It is found that the calculated XAS and XMCD with the static core hole or the Slater transition state half hole are in less good agreement with experiment than those using the so called initial state. This disagreement is due to the reduction of the iron spin magnetic moment caused by the static screening of the core hole by the photo-electron. The L$_{2,3}$ XAS formula is found to be directly related to the unoccupied $3d$ density of states (DOS), and hence the symmetry broken $e_g$ and the $t_{2g}$ iron DOS are used to explain the XAS and XMCD results. It is demonstrated that the dependence of the HS XMCD on the direction of incident x-ray circularly polarized light with respect to the magnetization direction can be used to determine the iron octahedron deformation, while the XMCD for various magnetization directions is directly related to the anisotropy of the orbital magnetic moment and the magneto-crystalline energy. It is also shown that the magnetic dipole moment $T_z$ is very large due to the strong distortion of the iron octahedron and is necessary for an accurate determination of the sum rule computed spin magnetic moment.",2309.02078v1 2024-01-29,Pulsed Iron line Emission from the First Galactic Ultraluminous X-ray Pulsar Swift J0243.6+6124,"We report the phase-resolved spectral results of the first Galactic Pulsating Ultra-Luminous X-ray source (PULX) Swift J0243.6+6124, modeling at its 2017-2018 outburst peak using data collected by the Hard X-ray Modulation Telescope (Insight-HXMT). The broad energy coverage of Insight-HXMT allows us to obtain more accurate spectral continuum to reduce the coupling of broad iron line profiles with other components. We use three different continuum spectrum models but obtain similar iron line results. For the first time, we detected the pulse characteristics of the broad iron line in a PULX. The variation in width and intensity of this iron line with $\sigma \sim 1.2-1.5$\,keV has a phase offset of about 0.25 from the pulse phase. We suggest that the uneven irradiation of the thick inner disk by the accretion column produces the modulated variation of the broad iron line. In addition, the non-pulsed narrow line is suggested to come from the outer disk region.",2401.15992v1 1996-09-06,The Iron Discrepancy in Elliptical Galaxies after ASCA,"We present estimates for the iron content of the stellar and diffused components of elliptical galaxies, as derived respectively from integrated optical spectra and from ASCA X-ray observations. A macroscopic discrepancy emerges between the expected iron abundances in the hot interstellar medium (ISM) and what is indicated by the X-ray observations, especially when allowance is made for the current iron enrichment by Type Ia supernovae. This strong discrepancy, that in some extreme instances may be as large as a factor of $\sim 20$, calls into question our current understanding of supernova enrichment and chemical evolution of galaxies. We discuss several astrophysical implications of the inferred low iron abundances in the ISM, including the chemical evolution of galaxies and cluster of galaxies, the evolution of gas flows in ellipticals, and the heating of the intracluster medium. Some of the consequences appear hard to accept, and in the attempt to avoid some of these difficulties we explore ways of hiding or diluting iron in the ISM of ellipticals. None of these possibilities appears astrophysically plausible, and we alternatively rise the question of the reliability of iron-L line diagonostic tools. Various thin plasma emission models are shown to give iron abundances that may differ significantly, especially at low temperatures ($kT \lsim 1$ keV). From a collection of ASCA and other X-ray observatory data, it is shown that current thin plasma codes tend to give very low iron abundances when the temperature of the objects is below $\sim 1$ keV. We conclude that -- besides rethinking the chemical evolution of galaxies -- one should also consider the possibility that existing thin plasma models may incorporate inaccurate atomic physics for the ions responsible for the iron-L complex.",9609046v1 2002-08-22,How the BAL quasars are quiet,"All properties of the quasars known by the author (quietness of the BAL quasars, Lyman forest, iron in the high-z quasars...) are explained supposing that the kernel of the quasar is surrounded by a halo containing an accretion disk and magnetic satellites (no dark matter or fast jet, no variation of the fine structure constant, no strange source of iron...). The key is taking into account the coherent light-matter interactions.",0208405v1 2003-10-23,The Iron Project and the RmaX Project,"Ongoing activities under an international collaboration of atomic physicists and astrophysicists under the Iron Project and the RmaX Project, with applications to X-ray astronomy, are briefly described.",0310700v1 2004-12-14,Live Fe-60 in the Early Solar System,"The latest finding by Hester et al. supports the view of "". . . iron cores of the inner planets, iron meteorites, and the core of the sun as likely condensation products from the supernova core."" [Science 195, 209 (14 January 1977)]",0412349v2 2005-06-03,A Chandra HETGS Spectral Study of the Iron K Bandpass in MCG-6-30-15: A Narrow View of the Broad Iron Line,"We present a high resolution X-ray spectrum of the iron K bandpass in MCG-6-30-15 based on a 522 ksec observation with Chandra's High Energy Transmission Grating Spectrometer. The Chandra spectrum is consistent with the presence of a relativistically broadened, highly redshifted iron K alpha emission line with a similar profile to previous observations. A number of narrow features are detected above 2 keV, including a narrow Fe K alpha emission line and narrow absorption lines from H- and He-like Fe, H-like S and H-like Si. This absorption is well described by a photoionized plasma with a column density log N_H = 23.2 and an ionization parameter log xi = 3.6, assuming the iron abundance has the Solar value and a velocity dispersion parameter b = 100 km/s. Applying this absorption model to a high fidelity XMM-Newton EPIC-pn spectrum we find that a broad iron line is still required with emission extending to within 1.9 gravitational radii of the black hole. If the iron line comes from an accretion disk truncated at the innermost stable circular orbit, this indicates that the black hole must be spinning rapidly with a>0.95. Ionized absorption models attempting to explain the 3-6 keV spectral curvature without strong gravity predict absorption lines in the 6.4-6.6 keV range that are inconsistent with the Chandra spectrum. The H- and He-like iron absorption lines in the Chandra spectrum are blueshifted by 2.0 (+0.7/-0.9) x 10^3 km/s compared to the source frame, and may originate in a high velocity, high ionization component of the warm absorber outflow. This high ionization component may dominate the energy budget of the outflow, and account for a significant fraction of the outflowing mass. (Abstract truncated).",0506082v1 2006-10-13,Suzaku Observations of Iron Lines and Reflection in AGN,"Initial results on the iron K-shell line and reflection component in several AGN observed as part of the Suzaku Guaranteed time program are reviewed. This paper discusses a small sample of Compton-thin Seyferts observed to date with Suzaku; namely MCG -5-23-16, MCG -6-30-15, NGC 4051, NGC 3516, NGC 2110, 3C 120 and NGC 2992. The broad iron K$\alpha$ emission line appears to be present in all but one of these Seyfert galaxies, while the narrow core of the line from distant matter is ubiquitous in all the observations. The iron line in MCG -6-30-15 shows the most extreme relativistic blurring of all the objects, the red-wing of the line requires the inner accretion disk to extend inwards to within 2.2Rg of the black hole, in agreement with the XMM-Newton observations. Strong excess emission in the Hard X-ray Detector (HXD) above 10 keV is observed in many of these Seyfert galaxies, consistent with the presence of a reflection component from reprocessing in Compton-thick matter (e.g. the accretion disk). Only one Seyfert galaxy (NGC 2110) shows neither a broad iron line nor a reflection component. The spectral variability of MCG -6-30-15, MCG -5-23-16 and NGC 4051 is also discussed. In all 3 cases, the spectra appear harder when the source is fainter, while there is little variability of the iron line or reflection component with source flux. This agrees with a simple two component spectral model, whereby the variable emission is the primary power-law, while the iron line and reflection component remain relatively constant.",0610436v1 2006-11-28,Iron line and diffuse hard X-ray emission from the starburst galaxy M82,"We examine the properties of the diffuse hard X-ray emission in the classic starburst galaxy M82. We use new Chandra ACIS-S observations in combination with reprocessed archival Chandra ACIS-I and XMM-Newton observations. We find E~6.7 keV Fe He-alpha emission is present in the central |r| < 200 pc, |z| < 100 pc of M82 in all datasets at high statistical significance, in addition to a possibly non-thermal X-ray continuum and marginally significant E=6.4 keV Fe K-alpha line emission. No statistically significant Fe emission is found in the summed X-ray spectra of the point-like X-ray sources or the ULX in the two epochs of Chandra observation. The total nuclear region iron line fluxes in the 2004 April 21 XMM-Newton observation are consistent with those of the Chandra-derived diffuse component, but in the 2001 May 6 XMM-Newton observation they are significantly higher and also both E=6.4 and E=6.9 keV iron lines are detected. We attribute the excess iron line emission to the Ultra-Luminous X-ray source in its high state. In general the iron K-shell luminosity of M82 is dominated by the diffuse component. The total X-ray luminosity of the diffuse hard X-ray emission (corrected for emission by unresolved low luminosity compact objects) is L_X ~ 4.4 x 10^39 erg/s in the E=2-8 keV energy band, and the 6.7 keV iron line luminosity is L_X ~ (1.1 -- 1.7) x 10^38 erg/s. The 6.7 keV iron line luminosity is consistent with that expected from the previously unobserved metal-enriched merged supernova ejecta that is thought to drive the larger-scale galactic superwind. The iron line luminosity implies a thermal pressure within the starburst region of P/k ~ 2 x 10^7 K/cm^3, which is consistent with independent observational estimates of the starburst region pressure [Abstract abridged].",0611859v1 2006-12-08,Iron Air collision with high density QCD,"The color glass condensate approach describes successfully heavy ion collisions at RHIC. We investigate Iron-air collisions within this approach and compare results to event generators commonly used in air shower simulations. We estimate uncertainties in the extrapolation to GZK energies and discuss implications for air shower simulations.",0612218v1 2004-09-03,Helicoidal ordering in iron perovskites,"We consider magnetic ordering in materials with negative charge transfer energy, such as iron perovskite oxides. We show that for a large weight of oxygen holes in conduction bands, the double exchange mechanism favors a helicoidal rather than ferromagnetic spin ordering both in metals, e.g. SrFeO_3 and insulators with a small gap, e.g. CaFeO_3. We discuss the magnetic excitation spectrum and effects of pressure on magnetic ordering in these materials.",0409068v1 2009-09-01,Discovery of the Iron Isotopes,"Twenty-eight iron isotopes have so far been observed; the discovery of these isotopes is discussed. For each isotope a brief summary of the first refereed publication, including the production and identification method, is presented.",0909.0091v1 2010-01-05,"Response to I. I. Mazin's correspondence on ""Electronic correlations in the iron pnictides""","We discuss the discrepancy between the measured optical Drude weight and band structure calculations in LaFePO and other iron-based superconductors. This discrepancy is mostly due to mass renormalization arising from electronic correlation effects.",1001.0643v1 2010-06-07,Screening of the Raman response in multiband superconductors -- application to iron-pnictides,"We performed model calculations of Raman responses for multiband 2D superconductors. The multiband effects of screening in the A_{1g} symmetry channel were investigated analytically and numerically for a band structure model mimicing ARPES data on iron-pnictide materials. An acceptable agreement between our model calculations and recent experimental data is demonstrated by modification of the band structure parameters.",1006.1333v1 2010-10-13,Atomic structure and electronic properties of nanotubes of layered iron-based superconductors,"The atomic models of nanotubes for layered FeSe, LiFeAs, SrFe2As2, and LnFeAsO - the parent phases of so-called 11, 111, 122, and 1111 groups of newly discovered family of iron-based high temperature superconductors are proposed. On example of SrFe2As2 the electronic properties of predicted nanotubes are examined and discussed in comparison with those for the corresponding single layer and the crystal.",1010.2624v1 2010-11-09,Iron lines in model disk spectra of galactic black hole binaries,"We present angle-dependent, broad-band intensity spectra from accretion disks around black holes of 10 M$_\odot$. In our computations disks are assumed to be slim, which means that the radial advection is taken into account while computing effective temperature of the disk. We attempt to reconstruct continuum and line spectra of X-ray binaries in soft state, i.e. dominated by the disk component of multitemperature shape. We follow how the iron line complex depends on the external irradiation, an accretion rate and a black hole spin. Full radiative transfer is solved including effects of Compton scattering, free-free and all important bound-free transitions of 10 main elements. Moreover, we include here the fundamental series of iron lines from helium-like and hydrogen-like ions, and fluorescent K$_{\alpha}$ and K$_{\beta}$ lines from low ionized iron. We consider two cases: non-rotating black hole, and black hole rotating with almost maximum spin a=0.98, and obtain spectra for five accretion disks from hard X-rays to the infrared. In non irradiated disks, resonance lines from He-like and H-like iron appear mostly in absorption. Such disk spectra exhibit limb-darkening in the whole energy range. External irradiation causes that iron resonance lines appear in emission. Furthermore, depending on disk effective temperature, fluorescent iron K$_{\alpha}$ and K$_{\beta}$ lines are present in disk emitting spectra.All models with irradiation exhibit limb-brightening in their X-ray reflected continua. We show, that the disk around stellar black hole itself is hot enought to produce strong absorption resonance lines of iron. Emission lines can be observed only if heating by external X-rays dominates over thermal processess in hot disk atmosphere. Irradiated disks are usually brighter in X-ray continuum when seen edge on, and fainter when seen face on.",1011.2061v1 2010-12-15,"Reply to Comment on ""Violation of Anderson's Theorem for the sign-reversing s-wave state of Iron-Pnictide Superconductors"" [arXiv:1012.0414] by Y. Bang","We explain that the study of impurity effect in iron pnictides are correctly calculated based on the T-matrix approximation, contrary to the Comment by Bang. The replacement T with T-I proposed by Bang breaks the perturbation theory and is therefore erroneous.",1012.3307v1 2011-01-05,Pressure study of the new iron-based superconductor K0.8Fe2Se2,"We investigated pressure effects on transition temperature (Tc) of the new iron-based superconductor K0.8Fe2Se2 using a BeCu/NiCrAl hybrid-type clamped piston-cylinder cell. The Tc(onset) was 33K at 0.85 GPa. With increasing pressure, Tc(onset) gradually increased and reached 36.6 K at 2.03 GPa.",1101.0896v1 2011-03-15,Dirac cone in iron-based high Tc superconductors,"The band structure of iron-based superconductors gives rise to yet another scenario for the appearance of Dirac fermions. A viewpoint on ""Observation of Dirac cone electronic dispersion in BaFe2As2"" (Richard et.al., PRL 104, 137001 (2010)).",1103.2946v1 2012-02-10,"A perspective of superconductivity as multiband phenomena: Cuprate, iron and aromatic systems","A theoretical overview of the classes of superconductors encompassing (a) high-Tc cuprate, (b) iron-based and (c) aromatic superconductors is given. Emphasis is put on the multiband natures of all the three classes, where the differences in the multiorbits and their manifestations in the electronic structures and pairing are clarified. From these, future directions and prospects are discussed.",1202.2170v1 2012-05-05,The mechanism of anisotropic exchange interaction in superconducting iron arsenides,"Using a combination of linear response theory and constrained orbital hybridization approach, we study the mechanism of magnetic exchange interaction of iron-based superconductor. We reproduce the observed highly anisotropic exchange interaction, and our constrain-orbital calculation unambiguously identifies that the anisotropic feature of exchange interaction is not sensitive to the unequal d$_{xz}$/d$_{yz}$ orbital population.",1205.1109v1 2013-12-18,Strongly magnetized iron white dwarfs and the total lepton number violation,"The influence of a neutrinoless electron to positron conversion on a cooling of strongly magnetized iron white dwarfs is studied.",1312.5343v1 2014-06-30,Magnetic anisotropy in FeSb studied by 57Fe Mössbauer spectroscopy,"The Fe(1+x)Sb compound has been synthesized close to stoichiometry with x = 0.023(8). The compound was investigated by 57Fe M\""ossbauer spectroscopy in the temperature range 4.2 - 300 K. The antiferromagnetic ordering temperature was found as 232 K i.e. much higher than for the less stoichiometric material. Regular iron was found to occupy two different positions in proportion 2:1. They differ by the electric quadrupole coupling constants and both of them exhibit extremely anisotropic electric field gradient tensor (EFG) with the asymmetry parameter equal one. The negative component of both EFGs is aligned with the c-axis of the hexagonal unit cell, while the positive component is aligned with the <120> direction. Hence, a model describing deviation from the NiAs P63/mmc symmetry group within Fe-planes has been proposed. Spectra in the magnetically ordered state could be explained by introduction of the incommensurate spin spirals propagating through the iron atoms in the direction of the c-axis with a complex pattern of the hyperfine magnetic fields distributed within a-b plane. Hyperfine magnetic field pattern of spirals due to major regular iron is smoothed by the spin polarized itinerant electrons, while the minor regular iron exhibits hyperfine field pattern characteristic of the highly covalent bonds to the adjacent antimony atoms. The excess interstitial iron orders magnetically at the same temperature as the regular iron, and magnetic moments of these atoms are likely to form two-dimensional spin glass with moments lying in the a-b plane. The upturn of the hyperfine field for minor regular iron and interstitial iron is observed below 80 K. Magneto-elastic effects are smaller than for FeAs, however the recoilless fraction increases significantly upon transition to the magnetically ordered state.",1406.7767v2 2014-07-18,Iron-free detectors for future linear colliders,"We continue consideration of Iron-free magnetic systems for possible application in detectors for high energy collider. In particular we suggest a new type of magnetic system with the multiple flux-return solenoids. This system allows reaching higher field level at IP compared with traditional ones.",1407.5056v1 2014-11-27,The critical relaxation of the model of iron-vanadium magnetic superlattice,"The critical relaxation of iron-vanadium magnetic superlattice in case of the equality between interlayer and intralayer exchange interactions is investigated. The dynamic and static critical exponents of the model are calculated. A value of the critical temperature is evaluated.",1411.7505v1 2015-08-26,Nuclear Reactions For Nucleosynthesis Beyond Fe,"Many more nuclear transitions have to be known in the determination of stellar reactivities for trans-iron nucleosynthesis than for reactions of light nuclei. This requires different theoretical and experimental approaches. Some of the issues specific for trans-iron nucleosynthesis are discussed.",1508.06569v1 2015-10-06,Local Stellar Kinematics from RAVE data - VI. Metallicity Gradients Based on the F-G Main-sequence Stars,"We estimated iron and metallicity gradients in the radial and vertical directions with the F and G type dwarfs taken from the RAVE DR4 database. The sample defined by the constraints Zmax<=825 pc and ep<=0.10 consists of stars with metal abundances and space velocity components agreeable with the thin-disc stars. The radial iron and metallicity gradients estimated for the vertical distance intervals 08 kpc. The range of the iron and metallicity abundance for the F and G type dwarfs on elongated orbits, [-0.13, -0.01), is similar to the thin-disc stars, while at least half of their space velocity components agree better with those of the thick-disc stars. The vertical iron gradients estimated for the F and G type dwarfs on circular orbits are d[Fe/H]/dZmax=-0.176(0.039) dex/kpc and d[Fe/H]/dZmax=-0.119(0.036) dex/kpc for the intervals Zmax<= 825 and Zmax<=1500 pc, respectively.",1510.01749v1 2016-04-23,M(H) dependence and size distribution of SPIONs measured by atomic magnetometry,"We demonstrate that the quasistatic recording of the magnetic excitation function M(H) of superparamagnetic iron oxide magnetic nanoparticle (SPION) suspensions by an atomic magnetometer allows a precise determination of the sample's iron mass content mFe and the particle size distribution.",1604.06882v1 2016-06-03,"Energy Losses of Magnetic Monopoles in Aluminum, Iron and Copper","The Energy Losses and Ranges of magnetic monopoles with magnetic charges $1g_{D}$, $2g_{D}$, $3g_{D}$, $6g_{D}$ and $9g_{D}$ in Aluminum, Iron and in Copper are computed, in the different regimes of velocities. The Restricted Energy Losses of monopoles with magnetic charges $1g_{D}$, $2g_{D}$ and $3g_{D}$ in Nuclear Track Detector is also given.",1606.01220v1 2022-10-11,Oxygen and iron in interstellar dust: an X-ray investigation,"Understanding the chemistry of the interstellar medium (ISM) is fundamental for the comprehension of the Galactic and stellar evolution. X-rays provide an excellent way to study the dust chemical composition and crystallinity along different sight-lines in the Galaxy. In this work we study the dust grain chemistry in the diffuse regions of the interstellar medium in the soft X-ray band (<1 keV). We use newly calculated X-ray dust extinction cross sections, obtained from laboratory data, in order to investigate the oxygen K and iron L shell absorption. We explore the XMM-Newton and Chandra spectra of 5 low-mass X-ray binaries located in the Galactic plane, and we model the gas and dust features of oxygen and iron simultaneously. The dust samples used for this study include silicates with different Mg:Fe ratios, sulfides, iron oxides and metallic iron. Most dust samples are in both amorphous and crystalline lattice configuration. The extinction cross sections have been computed using Mie scattering approximation and assuming a power law dust size distribution. We find that the Mg-rich amorphous pyroxene (Mg0.75Fe0.25SiO3) represents the largest fraction of dust towards most of the X-ray sources, about 70% on average. Additionally, we find that ~15% of the dust column density in our lines of sight is in Fe metallic. We do not find strong evidence for ferromagnetic compounds, such as Fe3O4 or iron sulfides (FeS, FeS2). Our study confirms that the iron is heavily depleted from the gas phase into solids; more than 90% of iron is in dust. The depletion of neutral oxygen is mild, between 10-20% depending on the line of sight.",2210.05778v1 2023-07-05,Heterophased grain boundary-rich superparamagnetic Iron Oxides/carbon composite for Cationic and Anionic Dye Removal,"Iron oxide-based nanostructures receive significant attention as an efficient adsorbent for organic dyes removal. The removal properties have strong dependency on the stoichiometry, phases, reactive edges, defect states etc present in the iron-oxides nanostructures. Herein, iron oxide/carbon composite with well-defined heterophased grain boundaries is synthesized by simple precipitation method and followed by calcination. The local structure, spin dynamics and magnetic properties of heterophased iron oxides/carbon composite are thoroughly investigated to explore its cationic and anionic dye removal capability. To validate the effectivity of the presence of heterogeneous grain boundaries, iron oxide/carbon nanocomposite with homogeneous grain boundaries is also examined. It was found that the hetero-phased iron oxide/carbon showed removal capacity of 35.45 mg g-1 and 45.84 mg g-1 for cationic (Crystal Violet) and anionic (Congo Red) dyes, respectively as compared to that of as-synthesised imidazole-capped superparamagnetic {\alpha}-Fe2O3 (25.11 mg g-1 and 40.44 mg g-1, respectively) and homophased iron oxide/carbon nanocomposite (9.41 mg g-1 and 5.43 mg g-1, respectively). The plausible mechanism on the local structural evolution of the heterophase in the course of calcination and increase of the removal capacity is discussed. A detailed dye adsorption investigation is presented including the adsorption kinetic study. The pseudo-second order kinetic model is found to be an appropriate one and suggests that the chemisorption is dominant factor leading to adsorption of dyes. Whereas Weber-Morris model indicate the strong influence of boundary layers of nanocomposite on the adsorption process.",2307.02142v1 2007-07-15,Linear and nonlinear low frequency electrodynamics of the surface superconducting states in an yttrium hexaboride a single crystal,"We report the low-frequency and tunneling studies of yttrium hexaboride single crystal. Ac susceptibility at frequencies 10 - 1500 Hz has been measured in parallel to the crystal surface DC felds, H0. We found that in the DC feld H0 > Hc2 DC magnetic moment completely disappears while the ac response exhibited the presence of superconductivity at the surface. Increasing of the DC field from Hc2 revealed the enlarging of losses with a maximum in the feld between Hc2 and Hc3. Losses at the maximum were considerably larger than in the mixed and in the normal states. The value of the DC field, where loss peak was observed, depends on the amplitude and frequency of the ac feld. Close to Tc this peak shifts below Hc2 which showed the coexistence of surface superconducting states and Abrikosov vortices. We observed a logarithmic frequency dependence of the in-phase component of the susceptibility. Such frequency dispersion of the inphase component resembles the response of spin-glass systems, but the out-of-phase component also exhibited frequency dispersion that is not a known feature of the classic spin-glass response. Analysis of the experimental data with Kramers-Kronig relations showed the possible existence of the loss peak at very low frequencies (< 5 Hz). We found that the amplitude of the third harmonic was not a cubic function of the ac amplitude even at considerably weak ac felds. This does not leave any room for treating the nonlinear effects on the basis of perturbation theory. We show that the conception of surface vortices or surface critical currents could not adequately describe the existing experimental data. Consideration of a model of slow relaxing nonequilibrium order parameter permits one to explain the partial shielding and losses of weak ac field for H0 > Hc2.",0707.2211v1 2013-09-18,The spin-state crossover and low-temperature magnetic state in yttrium doped Pr$_{0.7}$Ca$_{0.3}$CoO$_3$,"The structural and magnetic properties of two mixed-valence cobaltites with formal population of 0.30 Co$^{4+}$ ions per f.u., (Pr$_{1-y}$Y$_{y}$)$_{0.7}$Ca$_{0.3}$CoO$_3$ ($y=0$ and 0.15), have been studied down to very low temperatures by means of the high-resolution neutron diffraction, SQUID magnetometry and heat capacity measurements. The results are interpreted within the scenario of the spin-state crossover from a room-temperature mixture of the intermediate spin Co$^{3+}$ and low spin Co$^{4+}$ (IS/LS) at the to the LS/LS mixture in the sample ground states. In contrast to the yttrium free $y=0$ that retains the metallic-like character and exhibits ferromagnetic ordering below 55 K, the doped system $y=0.15$ undergoes a first-order metal-insulator transition at 132 K, during which not only the crossover to low spin states but also a partial electron transfer from Pr$^{3+}$ 4f to cobalt 3d states take place simultaneously. Taking into account the non-magnetic character of LS Co$^{3+}$, such valence shift electronic transition causes a magnetic dilution, formally to 0.12 LS Co$^{4+}$ or 0.12 $t_{2g}$ hole spins per f.u., which is the reason for an insulating, highly non-uniform magnetic ground state without long-range order. Nevertheless, even in that case there exists a relatively strong molecular field distributed over all the crystal lattice. It is argued that the spontaneous FM order in $y=0$ and the existence of strong FM correlations in $y=0.15$ apparently contradict the single $t_{2g}$ band character of LS/LS phase. The explanation we suggest relies on a model of the defect induced, itinerant hole mediated magnetism, where the defects are identified with the magnetic high-spin Co$^{3+}$ species stabilized near oxygen vacancies.",1309.4812v1 2016-08-31,Lattice instability and enhancement of superconductivity in YB$_6$,"The superconducting and normal state characteristics of yttrium hexaboride (YB$_6$) have been investigated for the single crystals with a transition temperatures $T_c$ ranging between 6 K and 7.6 K. The extracted set of microscopic parameters [the coherence length $\xi$(0) $\sim$ 320$\div$340 ${\AA}$, the penetration depth $\lambda$(0) $\sim$ 1100$\div$1600 ${\AA}$ and the mean free path of charge carriers $l$ = 31$\div$58 ${\AA}$, the Ginzburg-Landau-Maki parameters $\kappa$$_{1,2}$(0) $\sim$ 3.3$\div$4.8 and the superconducting gap $\Delta$(0) $\sim$ 10.3$\div$14.8 K] confirms the type II superconductivity in ""dirty limit"" ($\xi$$\gg$ $l$) with a medium to strong electron-phonon interaction (the electron-phonon interaction constant $\lambda_{e-ph}$ = 0.93$\div$0.96) and $s$-type pairing of charge carriers in this compound [2$\Delta$(0)$/k_BT_c$ $\approx$ 4]. The comparative analysis of charge transport (resistivity, Hall and Seebeck coefficients) and thermodynamic (heat capacity, magnetization) properties in the normal state in YB$_6$ allowed to detect a transition into the cage-glass state at $T^*$ $\sim$ 50 K with a static disorder in the arrangement of the Y$^{3+}$ ions. We argue that the significant $T_c$ variations in the YB$_6$ single crystals are determined by two main factors: (i) the superconductivity enhancement is related with the increase of the number of isolated vacancies, both at yttrium and boron sites, which leads to the development of an instability in the hexaboride lattice; (ii) the $T_c$ depression is additionally stimulated by the spin polarization of conduction electrons emerged and enhanced by the magnetic field in the vicinity of defect complexes in the YB$_6$ matrix.",1608.08902v1 2019-08-05,Anomalous high-temperature superconductivity in YH$_6$,"Pressure-stabilized hydrides are a new rapidly growing class of high-temperature superconductors which is believed to be described within the conventional phonon-mediated mechanism of coupling. Here we report the synthesis of yttrium hexahydride Im3m-YH$_6$ that demonstrates the superconducting transition with T$_c$ = 224 K at 166 GPa, much lower than the theoretically predicted (>270 K). The measured upper critical magnetic field B$_c$$_2$(0) of YH$_6$ was found to be 116-158 T, which is 2-2.5 times larger than the calculated value. A pronounced shift of T$_c$ in yttrium deuteride YD$_6$ with the isotope coefficient 0.4 supports the phonon-assisted superconductivity. Current-voltage measurements showed that the critical current I$_c$ and its density J$_c$ may exceed 1.75 A and 3500 A/mm$^2$ at 0 K, respectively, which is comparable with the parameters of commercial superconductors, such as NbTi and YBCO. The superconducting density functional theory (SCDFT) and anharmonic calculations suggest unusually large impact of the Coulomb repulsion in this compound. The results indicate notable departures of the superconducting properties of the discovered YH$_6$ from the conventional Migdal-Eliashberg and Bardeen-Cooper-Schrieffer theories.",1908.01534v2 2020-02-23,Spectroscopy of YO from first principles,"We report an ab initio study on the spectroscopy of the open-shell diatomic molecule yttrium oxide, YO. The study considers the six lowest doublet states, $X\,{}^{2}\Sigma^{+}$, $A\,{}^{2}\Pi$, $C\,{}^{2}\Pi$, $A'\,{}^{2}\Delta$, $B\,{}^{2}\Sigma^{+}$, $D\,{}^{2}\Sigma^{+}$ and a few higher-lying quartet states using high levels of electronic structure theory and accurate nuclear motion calculations. The coupled cluster singles, doubles, and perturbative triples, CCSD(T), and multireference configuration interaction (MRCI) methods are employed in conjunction with a relativistic pseudopotential on the yttrium atom and a series of correlation-consistent basis sets ranging in size from triple-$\zeta$ to quintuple-$\zeta$ quality. Core-valence correlation effects are taken into account and complete basis set limit extrapolation is performed for CCSD(T). Spin-orbit coupling is included through the use of both MRCI state-interaction with spin-orbit (SI-SO) approach and four-component relativistic equation-of-motion CCSD calculations. Using the ab initio data for bond lengths ranging from 1.0 to 2.5 A, we compute 6 potential energy, 12 spin-orbit, 8 electronic angular momentum, 6 electric dipole moment and 12 transition dipole moment (4 parallel and 8 perpendicular) curves which provide a complete description of the spectroscopy of the system of six lowest doublet states. The Duo nuclear motion program is used to solve the coupled nuclear motion Schr\""{o}dinger equation for these six electronic states. The spectra of $^{89}$Y$^{16}$O simulated for different temperatures are compared with several available high resolution experimental studies; good agreement is found once minor adjustments are made to the electronic excitation energies.",2002.09994v1 2020-07-30,Solid-state laser refrigeration of nanodiamond quantum sensors,"The negatively-charged nitrogen vacancy (NV$^-$) centre in diamond is a remarkable optical quantum sensor for a range of applications including, nanoscale thermometry, magnetometry, single photon generation, quantum computing, and communication. However, to date the performance of these techniques using NV$^-$ centres has been limited by the thermally-induced spectral wandering of NV$^-$ centre photoluminescence due to detrimental photothermal heating. Here we demonstrate that solid-state laser refrigeration can be used to enable rapid (ms) optical temperature control of nitrogen vacancy doped nanodiamond (NV$^-$:ND) quantum sensors in both atmospheric and \textit{in vacuo} conditions. Nanodiamonds are attached to ceramic microcrystals including 10\% ytterbium doped yttrium lithium fluoride (Yb:LiYF$_4$) and sodium yttrium fluoride (Yb:NaYF$_4$) by van der Waals bonding. The fluoride crystals were cooled through the efficient emission of upconverted infrared photons excited by a focused 1020 nm laser beam. Heat transfer to the ceramic microcrystals cooled the adjacent NV$^-$:NDs by 10 and 27 K at atmospheric pressure and $\sim$10$^{-3}$ Torr, respectively. The temperature of the NV$^-$:NDs was measured using both Debye-Waller factor (DWF) thermometry and optically detected magnetic resonance (ODMR), which agree with the temperature of the laser cooled ceramic microcrystal. Stabilization of thermally-induced spectral wandering of the NV$^{-}$ zero-phonon-line (ZPL) is achieved by modulating the 1020 nm laser irradiance. The demonstrated cooling of NV$^-$:NDs using an optically cooled microcrystal opens up new possibilities for rapid feedback-controlled cooling of a wide range of nanoscale quantum materials.",2007.15247v1 2021-12-14,Exploring yttrium doped C$_{24}$ fullerene as a high-capacity reversible hydrogen storage material: DFT investigations,"By employing the state-of-the-art density functional theory, we report the hydrogen storage capability of yttrium decorated C$_{24}$ fullerene. Single Y atom attached on C$_{24}$ fullerene can reversibly adsorb a maximum number of 6 H$_2$ molecules with average adsorption energy -0.37 eV and average desorption temperature 477 K, suitable for fuel cell applications. The gravimetric weight content of hydrogen is 8.84 %, which exceeds the target value of 6.5 wt % H by the department of energy (DoE) of the United States. Y atom is strongly bonded to C$_{24}$ fullerene with a binding energy of -3.4 eV due to a charge transfer from Y-4d and Y-5s orbitals to the C-2p orbitals of C$_{24}$ fullerene. The interaction of H$_2$ molecules with the Y atom is due to the Kubas type interaction involving a charge donation from the metal d orbital to H 1s orbital, and back donation causing slight elongation of H-H bond length. The stability of the system at the highest desorption temperature is confirmed by ab-initio molecular dynamics simulations, and the metal-metal clustering formation has been investigated by computing the diffusion energy barrier for the movement of Y atoms. We have corrected all the calculated energies for the van der Waals (vdW) interactions by applying the dispersion energy corrections, in addition to the contribution of the GGA exchange-correlation functional. The C$_{24}$+Y system is stable at room temperature, and at the highest desorption temperature, the presence of a sufficient diffusion energy barrier prevents metal-metal clustering. Furthermore, binding energies of H$_2$ are within the target value by DoE (-0.2-0.7 eV/H$_2$ ), while H$_2$ uptake (8.84 % H) is higher than DoE's criteria. Therefore, we propose that Y decorated C$_{24}$ fullerene can be tailored as a practically viable potential hydrogen storage candidate.",2112.07151v2 2023-09-04,NLTE analysis for Y I and Y II in atmospheres of F-G-K stars,"The non-local thermodynamical equilibrium (NLTE) line formation of Y I and Y II is considered in 1D LTE model atmospheres of F-G-K-type stars. The model atom was constructed with the most up-to-date atomic data, including quantum cross sections and rate coefficients for transitions in inelastic collisions of Y I and Y II with hydrogen atoms. For seven reference stars, we obtained an agreement between NLTE abundances inferred from the two ionization stages, while the difference in LTE abundance (Y I - Y II) can reach up to -0.31 dex. In the atmospheres of F-G-K-type stars, for both Y I and Y II lines, the NLTE abundance corrections are positive. In solar metallicity stars, the NLTE abundance corrections for Y II lines do not exceed 0.12 dex, while in atmospheres of metal-poor stars they do not exceed 0.21 dex. For Y I lines, the NLTE abundance corrections can reach up to 0.5 dex. We determined the yttrium NLTE abundances for a sample of 65 F and G dwarfs and subgiants in the -2.62~$\leq$~[Fe/H]~$\leq$~+0.24 metallicity range, using high-resolution spectra. For stars with [Fe/H]~$\leq$~-1.5, [Y/Fe] versus [Fe/H] diagram reveals positive trend with an average value of [Y/Fe]~$\simeq$~0. For metal-poor stars, among Sr, Y, and Zr, the arrangement [Sr/Fe] < [Y/Fe] < [Zr/Fe] remains consistent. The current study is useful for the Galactic chemical evolution research. The model atom will be applied for NLTE yttrium abundance determination in very metal-poor stars studied with LAMOST and Subaru.",2309.01402v1 2023-10-13,"Compound-tunable embedding potential method to model local electronic excitations on $f$-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO$_4$","A method to simulate local properties and processes in crystals with impurities via constructing cluster models within the frame of the compound-tunable embedding potential (CTEP) and highly-accurate {\it ab initio} relativistic molecular-type electronic structure calculations is developed and applied to the Ce and Th-doped yttrium orthophosphate crystals, YPO$_4$, having xenotime structure. Two embedded cluster models are considered, the ""minimal"" one, YO$_8$@CTEP$_{\rm min}$, consisting of the central Y$^{3+}$ cation and its first coordination sphere of eight O$^{2-}$ anions (i.~e.\ with broken P--O bonds), and its extended counterpart, Y(PO$_4$)$_6$@CTEP$_{\rm ext}$, implying the full treatment of all atoms of the PO$_4^{3-}$ anions nearest to the central Y$^{3+}$ cation. CTEP$_{\rm min,ext}$ denote here the corresponding cluster environment described within the CTEP method. The relativistic Fock-space coupled cluster (FS RCC) theory is applied to the minimal cluster model to study electronic excitations localized on Ce$^{3+}$ and Th$^{3+}$ impurity ions. Calculated transition energies for the cerium-doped xenotime are in a good agreement with the available experimental data (mean absolute deviation of ca.0.3 eV for $4f{\to}5d$ type transitions). For the thorium-doped crystal the picture of electronic states is predicted to be quite complicated, the ground state is expected to be of the $6d$ character. The uncertainty for the excitation energies of thorium-doped xenotime is estimated to be within 0.35 eV. Radiative lifetimes of excited states are calculated at the FS RCC level for both doped crystals. The calculated lifetime of the lowest $5d$ state of Ce$^{3+}$ differs from the experimentally measured one by no more than twice.",2310.09240v2 2017-12-19,"Influence of gallium content on Ga3+ position and photo- and thermally stimulated luminescence in Ce3+ - doped multicomponent (Y,Lu,)3GaxAl5-xO12 garnets","Photoluminescence, thermally stimulated luminescence (TSL) and EPR characteristics of the Ce3+ doped single crystals of multicomponent Y1Lu2GaxAl5-xO12 and Lu3GaxAl5-xO12 garnets with different Ga contents (x = 0, 1, 2, 3, 4, 5) excited in the Ce3+ - related absorption bands are investigated in the 9 - 500 K temperature range. The distribution of Ga3+ and Al3+ ions in the crystal lattice is determined by the NMR method. The relative number of Ga3+ ions in the tetrahedral crystal lattice sites, the maxima positions of the TSL glow curve peaks and the corresponding trap depths are found to decrease linearly with the increasing Ga content. At the same time, the reduction of the activation energy Ea of the TSL glow curve peaks creation under irradiation in the 4f - 4d1 absorption band of Ce3+ is strongly nonlinear. To explain this effect, the suggestion is made that Ea is the energy distance between the excited 5d1 level of Ce3+ and a defect level located between the 5d1 level and the bottom of the conduction band and arising from the Ga3+ ion perturbed by the nearest neighboring Ce3+ ion. The electrons thermally released from the excited Ce3+ ions are suggested to be trapped at the perturbed Ga3+ ions resulting in the appearance of electron Ga2+ centers. In spite of the fact that the paramagnetic Ga2+ ions were not detected by EPR, the described above process was found for Fe3+ impurity ions, namely the electron transfer from the 5d1 excited levels of Ce3+ to Fe3+ was directly detected by EPR.",1712.06925v1 2018-08-06,Lithium Metal Penetration Induced by Electrodeposition through Solid Electrolytes: Example in Single-Crystal Li6La3ZrTaO12 Garnet,"Solid electrolytes are considered a potentially enabling component in rechargeable batteries that use lithium metal as the negative electrode, and thereby can safely access higher energy density than available with today's lithium ion batteries. To do so, the solid electrolyte must be able to suppress morphological instabilities that lead to poor coulombic efficiency and, in the worst case, internal short circuits. In this work, lithium electrodeposition experiments were performed using single-crystal Li6La3ZrTaO12 garnet as solid electrolyte layers to investigate the factors that determine whether lithium penetration occurs through brittle inorganic solid electrolytes. In these single crystals, grain boundaries are excluded as possible paths for lithium metal propagation. However, Vickers microindentation was used to introduce sharp surface flaws of known size. Using operando optical microscopy, it was found that lithium metal penetration sometimes initiates at these controlled surface defects, and when multiple indents of varying size were present, propagates preferentially from the largest defect. However, a second class of flaws was found to be equally or more important. At the perimeter of surface current collectors, an enhanced electrodeposition current density causes lithium metal filled cracks to initiate and grow to penetration, even when the large Vickers defects are in close proximity. Modeling the electric field concentration for the experimental configurations, it was shown that a factor of 5 enhancement in field can readily occur within 10 micrometers of current collector discontinuities, which we interpret as the origin of electrochemomechanical stresses leading to failure. Such field amplification may determine the sites where supercritical surface defects dominate lithium metal propagation during electrodeposition, overriding the presence of larger defects elsewhere.",1808.02105v1 2018-12-31,Oxygen-vacancy centers in Y3Al5O12 garnet crystals: electron paramagnetic resonance and dielectric spectroscopy study,"F+ center, an electron trapped at oxygen vacancy (VO), was investigated in the oxygen deficient Y3Al5O12 (YAG) crystals by EPR. The measurements were performed at temperatures 5-450 K and frequencies 9.4-350 GHz with using both the continue wave and pulse EPR technique. The pulse electron-nuclear double resonance was applied to resolve the hyperfine interaction of the trapped electron with surrounding nuclei. The measurements show that at low temperatures, T < 50 K, EPR spectrum of the F+ center is anisotropic with g factors in the range 1.999-1.988 and originates from three magnetically inequivalent positions of the center in garnet lattice according to different directions of the Al(IV)-VO-Al(VI) chains, where Al(IV) and Al(VI) are the tetrahedral and octahedral Al sites, respectively. As the temperature increases, the EPR spectrum becomes isotropic suggesting a motional averaging of the anisotropy due to motion of electron between neighboring oxygen vacancies. With further increase of the temperature to T > 200 K, we observed delocalization of the electron into the conduction band with the activation energy about 0.4-0.5 eV that resulted in substantial narrowing of the EPR spectral line with simultaneous change of its shape from the Gaussian to Lorentzian due to diminish up to zero of the Fermi contact hyperfine field at 27Al and 89Y nuclei. Such temperature behavior of the F+-center electron in YAG is completely similar to behavior of a donor electron in a semiconductor. Our findings is further supported by measurements of the conductivity and dielectric properties. In particular, these data show that the conduction electrons are not homogeneously distributed in the crystal: there are high-conductive regions separated by poorly-conductive dielectric layers. This leads to the so-called Maxwell-Wagner dielectric relaxation with huge apparent dielectric constant at low frequencies.",1812.11873v2 2022-01-23,H$_2$O and CO$_2$ Surface Contamination of the Lithium-Stuffed Garnet,"Understanding the reactivity of ubiquitous molecules on complex oxides has broad impacts in energy applications and catalysis. The garnet-type Li$_7$La$_3$Zr$_2$O$_{12}$ is a promising solid-state electrolyte for lithium(Li)-ion batteries, and it readily reacts with H$_2$O and CO$_2$ when exposed to ambient air. Such reactions form a contamination layer on Li$_7$La$_3$Zr$_2$O$_{12}$ that is detrimental to the battery operations. The strong interactions of Li$_7$La$_3$Zr$_2$O$_{12}$ with H$_2$O and CO$_2$, however, make Li$_7$La$_3$Zr$_2$O$_{12}$ a promising support to catalyze H$_2$O dissociation and CO$_2$ adsorption. Here, using first-principles calculations, we investigate the adsorption and reactions of H$_2$O and CO$_2$ on a Li$_7$La$_3$Zr$_2$O$_{12}$ surface. We show that H$_2$O reacts through the exchange of proton and Li$^{+}$ and produces metal hydroxide species. At high H$_2$O coverage, half of the H$_2$O molecules dissociate while the other half remain intact. CO$_2$ reacts with the Li$_7$La$_3$Zr$_2$O$_{12}$ surface directly to produce carbonate species. We clarify that the individual reactions of H$_2$O and CO$_2$ with Li$_7$La$_3$Zr$_2$O$_{12}$ are more thermodynamically favorable than the co-adsorption of H$_2$O and CO$_2$. Finally, we demonstrate that low temperature and high partial pressure promote the reactions of H$_2$O and CO$_2$ with Li$_7$La$_3$Zr$_2$O$_{12}$. For energy storage application of Li$_7$La$_3$Zr$_2$O$_{12}$, our study guides processing conditions to minimize surface contamination. From a catalysis point of view, our findings reveal the potential of using complex oxides, such as Li$_7$La$_3$Zr$_2$O$_{12}$ as a support for reactions requiring H$_2$O dissociation and strong CO$_2$ adsorption.",2201.09348v1 2023-03-03,Comparative study of magnetocaloric properties for Gd$^{3+}$ compounds with different frustrated lattice geometries,"As materials with suppressed ordering temperatures and enhanced ground state entropies, frustrated magnetic oxides are ideal candidates for cryogenic magnetocaloric refrigeration. While previous materials design has focused on tuning the magnetic moments, their interactions, and density of moments on the lattice, there has been relatively little attention to frustrated lattices. Prior theoretical work has shown that the magnetocaloric cooling rate at the saturation field is proportional to a macroscopic number of soft mode excitations that arise due to the classical ground state degeneracy. The number of these modes is directly determined by the geometry of the frustrating lattice. For corner-sharing geometries, the pyrochlore has 50\% more modes than the garnet and kagome lattices, whereas the edge-sharing \emph{fcc} has only a subextensive number of soft modes. Here, we study the role of soft modes in the magnetocaloric effect of four large-spin Gd$^{3+}$ ($L=0$, $J=S=7/2$) Heisenberg antiferromagnets on a kagome, garnet, pyrochlore, and \emph{fcc} lattice. By comparing measurements of the magnetic entropy change $\Delta S_m$ of these materials at fields up to $9$~T with predictions using mean-field theory and Monte Carlo simulations, we are able to understand the relative importance of spin correlations and quantization effects. We observe that tuning the value of the nearest neighbor coupling has a more dominant contribution to the magnetocaloric entropy change in the liquid-He cooling regime ($2$-$20$~K), rather than tuning the number of soft mode excitations. Our results inform future materials design in terms of dimensionality, degree of magnetic frustration, and lattice geometry.",2303.01773v1 1995-10-04,X-ray reflection in Galactic Black Hole Candidates: smeared edge profiles and resonant Auger destruction,"We consider the spectra of Thomson-thick, geometrically-thin accretion discs around Galactic black hole candidates in the reflection model and compute their iron K edges and iron K$\alpha$ lines. We compare the smeared iron K edge profiles that we compute with observation and find them to be a satisfactory description of the data. We find that a combination of Doppler broadening and resonant Auger destruction of line photons can make iron K$\alpha$ lines very difficult to detect in highly ionized inclined discs. We detail the physics of resonant Auger destruction at the level it is currently understood and point out its implications.",9510022v1 1997-06-04,The Galaxy Cluster Luminosity-Temperature Relationship and Iron Abundances - A Measure of Formation History ?,"Both the X-ray luminosity-temperature (L-T) relationship and the iron abundance distribution of galaxy clusters show intrinsic dispersion. Using a large set of galaxy clusters with measured iron abundances we find a correlation between abundance and the relative deviation of a cluster from the mean L-T relationship. We argue that these observations can be explained by taking into account the range of cluster formation epochs expected within a hierarchical universe. The known relationship of cooling flow mass deposition rate to luminosity and temperature is also consistent with this explanation. From the observed cluster population we estimate that the oldest clusters formed at z>~2. We propose that the iron abundance of a galaxy cluster can provide a parameterization of its age and dynamical history.",9706041v1 1997-11-28,ICM masses in nearby and distant clusters of galaxies,"We compile X-ray data of clusters of galaxies at a wide range of redshift $z=0.0\sim1.0$ and compare X-ray luminosities, gas masses, iron abundances and iron masses of nearby clusters and those of distant clusters as a function of plasma temperature. All the date presented in this paper have been obtained only with \ASCA and/or \ROSAT. No evidence for a change in the \KT -\LX\ relationship or \KT - iron abundance at $z<0.6$ is found. No significant change in \KT -\LX relationship at $z>0.6$ is seen, either. However, the gas masses of very distant clusters at $z\sim0.8-1.0$ and some clusters around $z\sim0.6$ are significantly lower than those of nearby clusters, which indicates a hint of evolution. The iron masses of the two very distant clusters at $z\sim0.8-1.0$ are significantly different from each other, which suggests that the epoch of the metal injection into ICM is different from cluster to cluster.",9711353v1 1999-06-16,Iron line in the afterglow: a key to the progenitor,"The discovery of a powerful and transient iron line feature in the X-ray afterglow spectrum of GRB 970508 and GRB 970828, if confirmed, would be a major breakthrough for understanding the nature the progenitor of gamma-ray bursts. We show that a large mass of iron very close to the burster is necessary to produce the emission line. This in itself strongly limits the possible progenitor of the gamma-ray event, suggesting the former explosion of a supernova, as predicted in the Supranova model (Vietri & Stella 1998). The line emission process and the line intensity depend strongly on the age, density and temperature of the remnant. The simultaneous observation of the iron line and of a power-law optical afterglow lasted for one year strongly suggest that the burst emission is isotropic. Recent observations of GRB 990123 are also discussed.",9906268v1 1999-07-25,Constraints on Type Ia Supernova Models from X-ray Spectra of Galaxy Clusters,"We present constraints on theoretical models of Type Ia supernovae using spatially resolved ASCA X-ray spectroscopy of three galaxy clusters: Abell 496, Abell 2199 and Abell 3571. All three clusters have central iron abundance enhancements; an ensemble of abundance ratios are used to show that most of the iron in the central regions of the clusters comes from SN Ia. These observations are consistent with the suppressed galactic wind scenario proposed by Dupke and White (1999). At the center of each cluster, simultaneous analysis of spectra from all ASCA instruments shows that the nickel to iron abundance ratio (normalized by the solar ratio) is Ni/Fe ~ 4. We use the nickel to iron ratio as a discriminator between SN Ia explosion models: the Ni/Fe ratio of ejecta from the ""Convective Deflagration"" model W7 is consistent with the observations, while those of ""delayed detonation"" models are not consistent at the 90% confidence level.",9907343v1 1999-09-29,Mass-radius relations for white dwarf stars of different internal compositions,"The purpose of this work is to present accurate and detailed mass-radius relations for white dwarf (WD) models with helium, carbon, oxygen, silicon and iron cores, by using a fully updated stellar evolutionary code. We considered masses from 0.15 to 0.5 Mo for the case of helium core, from 0.45 to 1.2 Mo for carbon, oxygen and silicon cores and from 0.45 to 1.0 Mo for the case of an iron core. In view of recent measurements made by Hipparcos that strongly suggest the existence of WDs with an iron-dominated core, we focus our attention mainly on the finite-temperature, mass-radius relations for WD models with iron interiors. Furthermore, we explore the effects of gravitational, chemical and thermal diffusion on low-mass helium WD models with hydrogen and helium envelopes.",9909499v1 1999-10-08,Iron line reverberation mapping with Constellation-X,"The broad X-ray iron line seen in the spectra of many AGN is thought to originate from the inner regions of the putative black hole accretion disk, and hence provides a rare probe of that central region. In principle, future high throughput X-ray spectrometers should be able to examine the temporal response of this fluorescent line to flares in the X-ray continuum source (which energizes this emission line) - i.e. iron line reverberation mapping will be possible. It has been previously found that there are robust reverberation signatures of the black hole spin, mass and the X-ray flare location above the accretion disk. Here, we simulate observations of a bright Seyfert nucleus with the proposed NASA mission Constellation-X and demonstrate the feasibility of detecting these reverberation signatures with this mission. Hence, starting with XMM in 1999, and maturing with Constellation-X in c2010, iron line reverberation will open a new window on the innermost regions of AGN.",9910168v1 2000-04-26,Broad iron lines in Active Galactic Nuclei,"An intrinsically narrow line emitted by an accretion disk around a black hole appears broadened and skewed as a result of the Doppler effect and gravitational redshift. The fluorescent iron line in the X-ray band at 6.4-6.9keV is the strongest such line and is seen in the X-ray spectrum of many active galactic nuclei and, in particular, Seyfert galaxies. It is an important diagnostic with which to study the geometry and other properties of the accretion flow very close to the central black hole. The broad iron line indicates the presence of a standard thin accretion disk in those objects, often seen at low inclination. The broad iron line has opened up strong gravitational effects around black holes to observational study with wide-reaching consequences for both astrophysics and physics.",0004366v1 2000-06-23,The iron abundance in hot central stars of planetary nebulae derived from IUE spectra,"We present the first attempt to determine the iron abundance in hot central stars of planetary nebulae. We perform an analysis with fully metal-line blanketed NLTE model atmospheres for a sample of ten stars (T_eff >= 70.000 K) for which high-resolution UV spectra are available from the IUE archive. In all cases lines of Fe VI or Fe VII can be identified. As a general trend, the iron abundance appears to be subsolar by 0.5-1 dex, however, the S/N of the IUE spectra is not sufficient to exclude a solar abundance in any specific case. Improved spectroscopy by either FUSE or HST is necessary to verify the possibility of a general iron deficiency in central stars. The suspected deficiency may be the result of gravitational settling in the case of three high-gravity objects. For the other stars with low gravity and high luminosity dust fractionation during the previous AGB phase is a conceivable origin.",0006338v1 2001-04-04,Iron line emission in X-ray afterglows,"Recent observations of X-ray afterglows reveal the presence of a redshifted Kalpha iron line in emission in four bursts. In GRB 991216, the line was detected by the low energy grating of Chandra, which showed the line to be broad, with a full width of ~15,000 km/s. These observations indicate the presence of a >1 solar mass of iron rich material in the close vicinity of the burst, most likely a supernova remnant. The fact that such strong lines are observed less than a day after the trigger strongly limits the size of the remnant, which must be very compact. If the remnant had the observed velocity since the supernova explosion, its age would be less than a month. In this case nickel and cobalt have not yet decayed into iron. We show how to solve this paradox.",0104086v1 2001-08-31,The complex iron line of NGC 5506,"The bright Narrow Emission Line Galaxy, NGC 5506, has been observed simultaneously by XMM-Newton and BeppoSAX. The iron line is complex, with at least two components: one narrow and corresponding to neutral iron, the second one broad and corresponding to ionized iron. The latter line is equally well fitted by a truly broad line or by a blend of He- and H-like narrow lines. The bulk of the Compton reflection continuum originates in neutral matter, and is therefore associated with the narrow line: they are most likely emitted in distant matter. The origin of the ionized line(s) is less certain, but the solution in terms of a blend of narrow lines from photoionized matter seems to be preferable to emission from an ionized, relativistic accretion disc.",0108508v1 2001-10-09,The intracluster iron distribution around 4C+55.16,"We report on the metal distribution in the intracluster medium around the radio galaxy 4C+55.16 (z=0.24) observed with the Chandra X-ray Observatory. The radial metallicity profile shows a dramatic change at 10 arcsec (~50 kpc) in radius from half solar to twice solar at inner radii. Also found was a plume-like feature located at ~3 arcsec to the south-west of the centre of the galaxy, which is mostly accounted for by a strong enhancement of iron L emission. The X-ray spectrum of the plume is characterized by the metal abundance pattern of Type Ia supernovae (SNeIa), i.e., large ratios of Fe to alpha-elements, with the iron metallicity being unusually high at 7.9(+24/-5.0) solar (90 per cent error). How the plume has been formed is not entirely clear. The inhomogeneous iron distribution suggested in this cluster provides important clues to understanding the metal enrichment process of the cluster medium.",0110216v1 2002-05-19,Delayed Nickel Decay in Gamma Ray Bursts,"Recently observed emission lines in the X-ray afterglow of gamma ray bursts suggest that iron group elements are either produced in the gamma ray burst, or are present nearby. If this material is the product of a thermonuclear burn, then such material would be expected to be rich in Nickel-56. If the nickel remains partially ionized, this prevents the electron capture reaction normally associated with the decay of Nickel-56, dramatically increasing the decay timescale. Here we examine the consequences of rapid ejection of a fraction of a solar mass of iron group material from the center of a collapsar/hypernova. The exact rate of decay then depends on the details of the ionization and therefore the ejection process. Future observations of iron, nickel and cobalt lines can be used to diagnose the origin of these elements and to better understand the astrophysical site of gamma ray bursts. In this model, the X-ray lines of these iron-group elements could be detected in suspected hypernovae that did not produce an observable gamma ray burst due to beaming.",0205321v1 2002-05-21,The complex iron line in NGC 7469 observed by BeppoSAX,"In this letter we present analysis of BeppoSAX data from a long look at the Seyfert 1 galaxy NGC 7469. The presence of a soft excess below 0.8 keV is confirmed by our analysis and no warm absorber component is required to fit the spectrum. A complex iron emission line and the Compton reflection hump are clearly detected. The profile of the line is too broad to associate this feature with distant matter. In addition, the observed soft excess and the energy of the iron line E_{Fe}=6.8 keV strongly support a scenario in which the hard X-rays are reprocessed by a photoionized accretion disc. This hypothesis was tested fitting the BeppoSAX spectrum with the ionized disc reflection model of Ross & Fabian. A second narrow line component, in addition to that produced in the disc, is also required to fit the observed iron line profile. A high energy cut-off around 150 keV is clearly detected in the spectrum.",0205347v1 2002-09-19,Cosmic Needles versus Cosmic Microwave Background Radiation,"It has been suggested by a number of authors that the 2.7K cosmic microwave background (CMB) radiation might have arisen from the radiation from Population III objects thermalized by conducting cosmic graphite/iron needle-shaped dust. Due to lack of an accurate solution to the absorption properties of exceedingly elongated grains, in existing literature which studies the CMB thermalizing process they are generally modelled as (1) needle-like spheroids in terms of the Rayleigh approximation; (2) infinite cylinders; and (3) the antenna theory. We show here that the Rayleigh approximation is not valid since the Rayleigh criterion is not satisfied for highly conducting needles. We also show that the available intergalactic iron dust, if modelled as infinite cylinders, is not sufficient to supply the required opacity at long wavelengths to obtain the observed isotropy and Planckian nature of the CMB. If appealing to the antenna theory, conducting iron needles with exceedingly large elongations (10^4) appear able to provide sufficient opacity to thermalize the CMB within the iron density limit. But the applicability of the antenna theory to exceedingly thin needles of nanometer/micrometer in thickness needs to be justified.",0209386v1 2002-11-18,XMM-Newton Observations of AGN Iron Line Profiles,"XMM-Newton observations of type I AGN are presented. The properties of the iron K emission line are reviewed, the majority of AGN observed by XMM-Newton show narrow, unresolved (by XMM) iron lines at 6.4 keV from cold matter that must originate far from the inner accretion disc, perhaps in the putative torus or outer broad line region. The strength of this narrow line appears to decrease with luminosity, implying a reduction in the covering fraction of this material in the more luminous quasars. Few examples of the broad, relativistic iron line profile have been found by XMM-Newton, although in MCG -6-30-15, the extreme breadth of the broad line component may imply a Kerr metric for the central black hole. Generally, relativistic Fe K line profiles are not required in a number of other Seyfert 1 X-ray spectra.",0211381v1 2003-07-08,The origin of the iron lines in NGC 7213,"The analysis of a simultaneous XMM-Newton/BeppoSAX plus three previous BeppoSAX observations revealed that NGC 7213 is a rather peculiar Seyfert 1. No significant Compton reflection component was observed, while an iron line complex, best explained in terms of three narrow lines, is clearly apparent in the data. Due to the absence of the reflection component, the neutral iron line is likely not produced in a Compton-thick material, but current data do not allow to choose between a Compton-thin torus and the BLR. The two ionized iron lines from \ion{Fe}{xxv} and \ion{Fe}{xxvi} may be produced in a photoionized gas with a column density of a few 10$^{23}$ cm$^{-2}$, in analogy with the case of NGC 5506.",0307143v1 2003-07-09,The lack of variability of the iron line in MCG-6-30-15: general relativistic effects,"The spectrum and variability of the Seyfert galaxy MCG-6-30-15 can be decomposed into two apparently disconnected components: a highly variable power law and an almost constant component which contains a broad and strong iron line. We explore a possible explanation of the puzzling lack of variability of the iron line, by assuming that the variations of the power law component are due to changes in the height of the primary source in the near vicinity of a rotating black hole. Due to the bending of light in the strong field of the central black hole, the apparent brightness of the power-law component can vary by about a factor 4 according to its position, while the total iron line flux variability is less than 20 percent. This behaviour is obtained if the primary source is located within 3-4 gravitational radii ($r_{\rm g}$) from the rotation axis with a variable height of between $\sim$ 3 and 8 $r_{\rm g}$. These results revive the possibility that future X-ray observations of MCG-6-30-15 can map out the strong gravity regime of accreting black holes.",0307163v1 2003-11-13,The reprocessing features in the X-ray spectrum of the NELG MCG-5-23-16,"We present results from the spectral analysis of the Seyfert 1.9 galaxy MCG-5-23-16, based on ASCA, BeppoSAX, Chandra and XMM-Newton observations. The spectrum of this object shows a complex iron Kalpha emission line, which is best modeled by a superposition of a narrow and a broad (possibly relativistic) iron line, together with a Compton reflection component. Comparing results from all (six) available observations, we do not find any significant variation in the flux of both line components. The moderate flux continuum variability (about 25% difference between the brightest and faintest states), however, does not permit us to infer much about the location of the line-emitting material. The amount of Compton reflection is lower than expected from the total iron line EW, implying either an iron overabundance or that one of the two line components (most likely the narrow one) originates in Compton-thin matter.",0311316v1 2003-11-27,The Iron Unresolved Transition Array in Active Galactic Nuclei,"The unresolved transition array (UTA) of iron M-shell ions is a prominent absorption feature in the X-ray spectrum of many active galactic nuclei (AGNs). Modeling photoionized plasmas in attempt to match the observed silicon and oxygen lines fail to predict the level of ionization of iron as inferred by this feature. It is suggested that the discrepancy is due to underestimation of the low-temperature dielectronic recombination rates for iron M-shell ions. Modified ionization balance calculations, based on new (guessed) atomic data, support this idea. The results are shown and compared to the global properties of several observed UTAs. Implications for AGN absorbing gas are discussed including an analysis of the ionization parameter distribution in such sources. The need for real calculations of such atomic data is stressed.",0311604v1 2004-03-10,Handling of Atomic Data,"State-of-the-art NLTE model-atmosphere codes have arrived at a high level of numerical sophistication and are now useful tools to analyze high-quality spectra from the infrared to the X-ray wavelength range. The capacity of current computers permit calculations which include line spectra from all elements from hydrogen up to the iron group. The lack of reliable atomic data has become a critical problem for further progress. We summarize available sources of atomic data, and discuss how these are implemented in the Tuebingen Model-Atmosphere Package TMAP. We describe our Iron Opacity Interface IrOnIc which is used to calculate opacities of iron-group elements from Kurucz's and the Opacity Project's data. We propose general use of the Tuebingen Model-Atom Database TMAD, which would allow an easy exchange of ready-to-use model atoms between all model-atmosphere groups. The comparison of model-atmosphere calculations would then be much easier, and would save a great deal of manpower that is presently consumed preparing suitable model atoms for spectral analyses.",0403239v1 2004-03-19,Extragalactic UHE proton spectrum and prediction for iron-nuclei flux at 10^8 - 10^9 GeV,"We investigate the problem of transition from Galactic cosmic rays to extragalactic ultra high energy cosmic rays. Using the model for extragalactic ultra high energy cosmic rays and observed all-particle cosmic ray spectrum, we calculate the galactic spectrum of iron nuclei in the energy range $10^8 - 10^9$ GeV. The flux and spectrum predicted at lower energies agree well with the KASCADE data. The transition from Galactic to extragalactic cosmic rays is distinctly seen in spectra of protons and iron nuclei, when they are measured separately. The shape of predicted iron spectrum agrees with the Hall diffusion.",0403477v2 2004-04-15,X-ray reprocessing in Seyfert Galaxies: simultaneous XMM-Newton/BeppoSAX observations,"We selected a sample of eight bright unobscured (at least at the iron line energy) Seyfert Galaxies observed simultaneously by XMM-Newton and BeppoSAX, taking advantage of the complementary characteristics of the two missions. The main results of our analysis can be summarized as follows: narrow neutral iron lines are confirmed to be an ubiquitous component in Seyfert spectra; none of the analyzed sources shows unambiguously a broad relativistic iron line; all the sources of our sample (with a single exception) show the presence of a Compton reflection component; emission lines from ionized iron are observed in some sources; peculiar weak features around 5-6 keV (possibly arising from rotating spots on the accretion disk) are detected in two sources. The scenario emerging from these results strongly requires some corrections for the classical model of reprocessing from the accretion disk. As for materials farther away from the Black Hole, our results represent a positive test for the Unification Model, suggesting the presence of the torus in (almost) all sources, even if unobscured.",0404308v1 2004-10-23,Why the Model of a Hydrogen-Filled Sun Is Obsolete,"Isotope analyses on meteorites, planets, lunar samples, the solar wind, and solar flares show that heterogeneous debris of a supernova (SN) that exploded here 5 Gy ago formed the solar system. The Sun formed on the collapsed SN core. Iron meteorites and the iron cores of the terrestrial planets formed out of iron-rich material surrounding the SN core. Giant gaseous planets formed out of the light-weight elements in the outer SN layers. Mass separation enriches light elements like H and He at the solar surface, but the bulk Sun consists almost entirely of the same seven, even-numbered elements that comprise 99% of ordinary meteorites - iron (Fe), oxygen (O), nickel (Ni), silicon (Si), magnesium (Mg), sulfur (S) and calcium (Ca).",0410569v1 2004-11-22,The influence of chemical composition on the properties of Cepheid stars I - Period-Luminosity relation vs iron abundance,"We have assessed the influence of the stellar iron content on the Cepheid Period-Luminosity (PL) relation by relating the V band residuals from the Freedman et al (2001) PL relation to [Fe/H] for 37 Galactic and Magellanic Clouds Cepheids. The iron abundances were measured from FEROS and UVES high-resolution and high-signal to noise optical spectra. Our data indicate that the stars become fainter as metallicity increases, until a plateau or turnover point is reached at about solar metallicity. Our data are incompatible with both no dependence of the PL relation on iron abundance, and with the linearly decreasing behavior often found in the literature (e.g. Kennicutt et al 1998, Sakai et al 2004). On the other hand, non-linear theoretical models of Fiorentino et al (2002) provide a fairly good description of the data.",0411594v2 2005-01-25,The Iron Line Background,"We investigate the presence of iron line emission among faint X-ray sources identified in the 1Ms Chandra Deep Field South and in the 2Ms Chandra Deep Field North. Individual source spectra are stacked in seven redshift bins over the range z=0.5-4. We find that iron line emission is an ubiquitous property of X-ray sources up to z~3. The measured line strengths are in good agreement with those expected by simple pre-Chandra estimates based on X-ray background synthesis models. The average rest frame equivalent width of the iron line does not show significant changes with redshift.",0501542v1 2005-10-20,Truncated disc versus extremely broad iron line in XTE J1650-500,"There is growing evidence from both spectral and timing properties that there is a truncated inner accretion disc in low mass accretion rate Galactic black hole systems. The detection of extremely smeared relativistic iron lines in some of these systems is the only current piece of evidence which conflicts with this geometrical interpretation of the low/hard state. Here we show that the line width in the BeppoSAX data of a bright low/hard state of the transient black hole XTE J1650-500 is indeed consistent with extreme relativistic effects. However, the relativistic smearing can be significantly reduced if there is also resonance iron K line absorption from an outflowing disc wind. The iron line smearing is then completely compatible with a truncated disc, so gives no information on the black hole spin.",0510614v2 2006-03-06,Relativistic Iron lines at high redshifts,"The shape and the intensity of the 6.4 keV iron line bring unique information on the geometrical and physical properties of the supermassive black hole and the surrounding accreting gas at the very center of Active Galactic Nuclei. While there are convincing evidences of a relativistically broadened iron line in a few nearby bright objects, their properties at larger distances are basically unknown. We have searched for the presence of iron line by fully exploiting Chandra observations in the deep fields. The line is clearly detected in the average spectra of about 250 sources stacked in several redshift bins over the range z=0.5-4.0. We discuss their average properties with particular enphasys on the presence and intensity of a broad component.",0603139v1 2006-08-24,Non-LTE modeling of supernova-fallback disks,"We present a first detailed spectrum synthesis calculation of a supernova-fallback disk composed of iron. We assume a geometrically thin disk with a radial structure described by the classical alpha-disk model. The disk is represented by concentric rings radiating as plane-parallel slabs. The vertical structure and emission spectrum of each ring is computed in a fully self-consistent manner by solving the structure equations simultaneously with the radiation transfer equations under non-LTE conditions. We describe the properties of a specific disk model and discuss various effects on the emergent UV/optical spectrum. We find that strong iron-line blanketing causes broad absorption features over the whole spectral range. Limb darkening changes the spectral distribution up to a factor of four depending on the inclination angle. Consequently, such differences also occur between a blackbody spectrum and our model. The overall spectral shape is independent of the exact chemical composition as long as iron is the dominant species. A pure iron composition cannot be distinguished from silicon-burning ash. Non-LTE effects are small and restricted to few spectral features.",0608529v1 2006-09-15,A Short Review of Relativistic Iron Lines from Stellar-Mass Black Holes,"In this contribution, I briefly review recent progress in detecting and measuring the properties of relativistic iron lines observed in stellar-mass black hole systems, and the aspects of these lines that are most relevant to studies of similar lines in Seyfert-1 AGN. In particular, the lines observed in stellar-mass black holes are not complicated by complex low-energy absorption or partial-covering of the central engine, and strong lines are largely independent of the model used to fit the underlying broad-band continuum flux. Indeed, relativistic iron lines are the most robust diagnostic of black hole spin that is presently available to observers, with specific advantages over the systematics-plagued disk continuum. If accretion onto stellar-mass black holes simply scales with mass, then the widespread nature of lines in stellar-mass black holes may indicate that lines should be common in Seyfert-1 AGN, though perhaps harder to detect.",0609447v1 2006-11-14,Chandra Detection of Fe XVII in Absorption: Iron Abundance in the Hot Gaseous Interstellar Medium,"The iron depletion level and the gas-phase iron abundance in the hot ~10^6 K interstellar medium (ISM) is critical to the understanding of its energy balance as well as the thermal sputtering, cooling, and heating processes of dust grains. Here we report on the first detection of the Fe XVII absorption line at 15.02 A from the hot ISM in the spectrum of the low mass X-ray binary 4U~1820-303 observed with Chandra X-Ray Observatory. By jointly analyzing this absorption line with those from OVII, OVIII, and NeIX ions in the same spectrum, we obtain an abundance ratio as Fe/Ne=0.8(0.4, 2.1) in units of the Anders & Grevesse solar value (90% confidence intervals). We find that the result is robust with respect to different assumed gas temperature distributions. The obtained Fe/Ne abundance ratio, albeit with large uncertainties, is consistent with the solar value, indicating that there is very little or no iron depleted into dust grains, i.e., most of or all of the dust grains have been destroyed in the hot ISM.",0611446v2 2006-11-21,Discovery of Variable Iron Fluorescence from Reflection Nebulae in the Galactic Center,"Based on three years of deep observations of the Galactic center with the Chandra X-ray Observatory, we report the discovery of changes in the intensities and morphologies of two hard X-ray nebulosities. The nebulosities are dominated by fluorescent iron emission, and are coincident with molecular clouds. The morphological changes are manifest on parsec scales, which requires that these iron features are scattered X-rays from a 2 or 3-year-long outburst of a point source (either Sgr A* or an X-ray binary) with a luminosity of at least 1e37 erg/s. The variability precludes the hypotheses that these nebulae either are produced by keV electrons bombarding molecular clouds, or are iron-rich ejecta from supernovae. Moreover, the morphologies of the reflection nebulae implies that the dense regions of the clouds are filamentary, with widths of ~0.3 pc and lengths of ~2 pc.",0611651v1 2007-01-17,Galactic Basins of Helium and Iron around the Knee Energy,"The differential energy spectrum of cosmic rays exhibits a change of slope, called ""knee"" of the spectrum, around the nominal energy of 3 x 10^15 eV, and individual ""knees"" for single ions, at different energies. The present work reports a detailed account of the characteristics and the origin of the knees for Helium and Iron. Current observational data regarding the magnetic field, the insterstellar matter density, the size of the Galaxy and the galactic wind, are incorporated in appropriate algorithms which allow to simulate millions of cosmic-ion trajectories in the disk. Bundles of ion trajectories define galactic regions called basins utilized in the present analysis of the knees. The fundamental role of the nuclear cross sections in the origin of the helium and iron knees is demonstrated and highlighted. The results of the calculation are compared with the experimental data in the energy interval 10^12 eV - 5 x 10^17 eV. There is a fair agreement between the computed and measured energy spectra of Helium and Iron; rather surprisingly their relative intensities are also in accord with those computed here. The results suggest that acceleration mechanisms in the disk are extraneous to the origin of the ""knees"".",0701498v1 1999-05-21,Structure and Dynamics of Liquid Iron under Earth's Core Conditions,"First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynamical properties of liquid iron under Earth's core conditions. As evidence for the accuracy of the techniques, we present PAW results for a range of solid-state properties of low- and high-pressure iron, and compare them with experimental values and the results of other first-principles calculations. In the liquid-state simulations, we address particular effort to the study of finite-size effects, Brillouin-zone sampling and other sources of technical error. Results for the radial distribution function, the diffusion coefficient and the shear viscosity are presented for a wide range of thermodynamic states relevant to the Earth's core. Throughout this range, liquid iron is a close-packed simple liquid with a diffusion coefficient and viscosity similar to those of typical simple liquids under ambient conditions.",9905319v1 2001-05-11,Magnetization Process of Nanoscale Iron Cluster,"Low-temperature magnetization process of the nanoscale iron cluster in linearly sweeped fields is investigated by a numerical analysis of time-dependent Schr$\ddot{\rm o}$dinger equation and the quantum master equation. We introduce an effective basis method extracting important states, by which we can obtain the magnetization process effectively. We investigate the structure of the field derivative of the magnetization. We find out that the antisymmetric interaction determined from the lattice structure reproduces well the experimental results of the iron magnets and that this interaction plays an important role in the iron cluster. Deviations from the adiabatic process are also studied. In the fast sweeping case, our calculations indicate that the nonadiabatic transition dominantly occurs at the level crossing for the lowest field. In slow sweeping case, due to the influence of the thermal environment to the spin system, the field derivative of the magnetization shows an asymmetric behavior, the magnetic F$\ddot{\rm o}$hn effect, which explains the substructure of the experimental results in the pulsed field.",0105227v1 2001-11-26,Evidence of local magnetic order in hcp iron from Raman mode splitting,"Experimental measurements of Raman spectra for hcp iron at high pressure show two modes over a considerable pressure range in contrast to the prediction of one doubly degenerate mode for the hcp lattice. We use density functional theory to investigate the influence of magnetic order on the Raman active modes of hcp iron. We find an antiferromagnetic state that lifts the degeneracy of the transverse optical mode, and yields stable antiferromagnetic moments up to approximately 60 GPa (55 Bohr$^3$). The resulting frequencies of the two transverse optical modes are in good agreement with the experimental Raman shifts, lending support to the existence of local antiferromagnetic order in hcp iron.",0111487v1 2003-10-22,Unconventional superconductivity and normal state properties of epsilon-iron at high pressure,"Following the discovery of superconductivity in epsilon-iron, subsequent experiments hinted at non-Fermi liquid behaviour of the normal phase and sensitive dependence of the superconducting state on disorder, both signatures of unconventional pairing. We report further resistive measurements under pressure of samples of iron from multiple sources. The normal state resistivity of epsilon-iron varied as rho_0+AT^{5/3} at low temperature over the entire superconducting pressure domain. The superconductivity could be destroyed by mechanical work, and was restored by annealing, demonstrating sensitivity to the residual resistivity rho_0. There is a strong correlation between the rho_0 and A coefficients and the superconducting critical temperature T_c. Within the partial resistive transition there was a significant current dependence, with V(I)=a(I-I_0)+bI^2, with a >> b, possibly indicating flux-flow resistivity, even in the absence of an externally applied magnetic field.",0310519v1 2004-05-19,Dynamics of the magnetic and structural a -> e phase transition in Iron,"We have studied the high-pressure iron bcc to hcp phase transition by simultaneous X-ray Magnetic Circular Dichroism (XMCD) and X-ray Absorption Spectroscopy (XAS) with an X-ray dispersive spectrometer. The combination of the two techniques allows us to obtain simultaneously information on both the structure and the magnetic state of Iron under pressure. The magnetic and structural transitions simultaneously observed are sharp. Both are of first order in agreement with theoretical prediction. The pressure domain of the transition observed (2.4 $\pm$ 0.2 GPa) is narrower than that usually cited in the literature (8 GPa). Our data indicate that the magnetic transition slightly precedes the structural one, suggesting that the origin of the instability of the bcc phase in iron with increasing pressure is to be attributed to the effect of pressure on magnetism as predicted by spin-polarized full potential total energy calculations.",0405439v4 2005-01-17,Electronic structure of nanoscale iron oxide particles measured by scanning tunneling and photoelectron spectroscopies,"We have investigated the electronic structure of nano-sized iron oxide by scanning tunnelling microscopy (STM) and spectroscopy (STS) as well as by photoelectron spectroscopy. Nano particles were produced by thermal treatment of Ferritin molecules containing a self-assembled core of iron oxide. Depending on the thermal treatment we were able to prepare different phases of iron oxide nanoparticles resembling gamma-Fe2O3, alpha-Fe2O3, and a phase which apparently contains both gamma-Fe2O3 and alpha-Fe2O3. Changes to the electronic structure of these materials were studied under reducing conditions. We show that the surface band gap of the electronic excitation spectrum can differ from that of bulk material and is dominated by surface effects.",0501377v1 2006-01-30,Iron self-diffusion in FeZr/$^{57}$FeZr multilayers measured by neutron reflectometry: Effect of applied compressive stress,"Iron self-diffusion in nano-composite FeZr alloy has been investigated using neutron reflectometry technique as a function of applied compressive stress. A composite target of (Fe+Zr) and (57Fe+Zr) was alternatively sputtered to deposit chemically homogeneous multilayer (CHM) structure, [Fe75Zr25/57Fe75Zr25]10. The multilayers were deposited on to a bent Si wafer using a 3-point bending device. Post-deposition, the bending of the substrate was released which results in an applied compressive stress on to the multilayer. In the as-deposited state, the alloy multilayer forms an amorphous phase, which crystallizes into a nano-composite phase when heated at 373 K. Bragg peaks due to isotopic contrast were observed from CHM, when measured by neutron reflectivity, while x-ray reflectivity showed a pattern corresponding to a single layer. Self-diffusion of iron was measured with the decay of the intensities at the Bragg peaks in the neutron reflectivity pattern after thermal annealing at different temperatures. It was found that the self-diffusion of iron slows down with an increase in the strength of applied compressive stress.",0601646v1 2007-01-12,Iron melting curve with a tricritical point,"Solidification as a first order phase transition is described in the Landau theory by the same equation as tricritical phenomena. Here, the solidification or melting temperature against pressure curve is modelled to end at a tricritical point. The model gives the phase transition temperature's dependence on pressure up to the quadratic term with a definite expression for the coefficients. This formula is expected to be generally valid for pure materials having melting curves with dT/dP approaching zero at very high P. Excellent experimental agreement is obtained for iron, the material having the most high pressure data which rather accurately determines the value of the coefficient defining the curvature. The geophysically interesting iron solidification temperatures at the Earth's core pressures are obtained. In addition, the general formulae for entropy change, latent heat and volume contraction in solidification are found and calculated for iron as functions of pressure and temperature.",0701283v1 2004-09-21,The axial ratio of hcp iron at the conditions of the Earth's inner core,"We present ab initio calculations of the high-temperature axial c/a ratio of hexagonal-close-packed (hcp) iron at Earth's core pressures, in order to help interpret the observed seismic anisotropy of the inner core. The calculations are based on density functional theory, which is known to predict the properties of high-pressure iron with good accuracy. The temperature dependence of c/a is determined by minimising the Helmholtz free energy at fixed volume and temperature, with thermal contributions due to lattice vibrations calculated using harmonic theory. Anharmonic corrections to the harmonic predictions are estimated from calculations of the thermal average stress obtained from ab initio molecular dynamics simulations of hcp iron at the conditions of the inner core. We find a very gradual increase of axial ratio with temperature. This increase is much smaller than found in earlier calculations, but is in reasonable agreement with recent high-pressure, high-temperature diffraction measurements. This result casts doubt on an earlier interpretation of the seismic anisotropy of the inner core.",0409109v1 2007-10-29,Muon content of ultra-high-energy air showers: Yakutsk data versus simulations,"We analyse a sample of 33 extensive air showers (EAS) with estimated primary energies above 2\cdot 10^{19} eV and high-quality muon data recorded by the Yakutsk EAS array. We compare, event-by-event, the observed muon density to that expected from CORSIKA simulations for primary protons and iron, using SIBYLL and EPOS hadronic interaction models. The study suggests the presence of two distinct hadronic components, ``light'' and ``heavy''. Simulations with EPOS are in a good agreement with the expected composition in which the light component corresponds to protons and the heavy component to iron-like nuclei. With SYBILL, simulated muon densities for iron primaries are a factor of \sim 1.5 less than those observed for the heavy component, for the same electromagnetic signal. Assuming two-component proton-iron composition and the EPOS model, the fraction of protons with energies E>10^{19} eV is 0.52^{+0.19}_{-0.20} at 95% confidence level.",0710.5508v2 2007-11-03,"Inner-shell Annihilation of Positrons in Argon, Iron and Copper Atoms","The annihilation parameters of positrons with electrons in different shells of Argon, Iron and Copper atoms are calculated below the positronium (Ps) formation thresholds. Quite accurate ab initio calculations of the bound state wavefunctions of Argon, Iron and Copper orbitals are obtained from Cowan computer code. A least-squares variational method (LSVM) is used for determining the wavefunction of the positrons. The program is employed for calculating the s-wave partial cross sections of positrons scattered by Iron and Copper atoms. Our results of the effective charge are compared with available experimental and theoretical ones. --",0711.0453v1 2008-04-06,Carbon nanotube-sharp tips and carbon nanotube-soldering irons,"We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron beam machining has been proven a powerful tool to modify desired nanostructures for technological applications and to form molecular junctions and interconnections between carbon nanotubes. Recent studies showed the high degree of complexity in the creation of direct interconnections between multiwalled and CNTs having dissimilar diameters. Our technique allows for carving a MWCNT into a nanosoldering iron that was demonstrated capable of joining two separated halves of a tube. This approach could easily be extended to the interconnection of two largely dissimilar CNTs, between a CNT and a nanowire or between two nanowires.",0804.0929v1 2008-05-06,Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling,"A new class of high temperature superconductors based on iron and arsenic was recently discovered, with superconducting transition temperature as high as 55 K. Here we show, using microscopic theory, that the normal state of the iron pnictides at high temperatures is highly anomalous, displaying a Curie Weiss susceptibility and a linear temperature dependence of the resistivity. Below a coherence scale T*, the resistivity sharply drops and susceptibility crosses over to Pauli-like temperature dependence. Remarkably, the coherence-incoherence crossover temperature is a very strong function of the strength of the Hund's rule coupling J_Hund. On the basis of the normal state properties, we estimate J_Hund to be 0.35-0.4 eV. In the atomic limit, this value of J_Hund leads to the critical ratio of the exchange constants J_1/J_2~2. While normal state incoherence is in common to all strongly correlated superconductors, the mechanism for emergence of the incoherent state in iron-oxypnictides, is unique due to its multiorbital electronic structure.",0805.0722v2 2008-05-27,Spin density wave anomaly at 140 K in the ternary iron arsenide BaFe2As2,"The ternary iron arsenide BaFe2As2 with the tetragonal ThCr2Si2-type structure exhibits a spin density wave (SDW) anomaly at 140 K, very similar to LaFeAsO, the parent compound of the iron arsenide superconductors. BaFe2As2 is a poor Pauli-paramagnetic metal and undergoes a structural and magnetic phase transition at 140 K, accompanied by strong anomalies in the specific heat, electrical resistance and magnetic susceptibility. In the course of this transition, the space group symmetry changes from tetragonal (I4/mmm) to orthorhombic (Fmmm). 57Fe Moessbauer spectroscopy experiments show a single signal at room temperature and full hyperfine field splitting below the phase transition temperature (5.2 T at 77 K). Our results suggest that BaFe2As2 can serve as a new parent compound for oxygen-free iron arsenide superconductors.",0805.4021v2 2008-05-29,Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2,"The ternary iron arsenide BaFe2As2 becomes superconducting by hole doping, which was achieved by partial substitution of the barium site with potassium. We have discovered bulk superconductivity up to Tc = 38 K in (Ba1-xKx)Fe2As2 with x = 0.4. The parent compound BaFe2As2 as well as KFe2As2 both crystallize in the tetragonal ThCr2Si2-type structure, which consists of (FeAs)- iron arsenide layers separated by barium or potassium ions. BaFe2As2 is a poor metal and exhibits a SDW anomaly at 140 K. By substituting Ba2+ for K+ ions we have introduced holes in the (FeAs)- layers, which suppress the SDW anomaly and induce superconductivity. This scenario is very similar to the recently discovered arsenide-oxide superconductors. The Tc of 38 K in (Ba1-xKx)Fe2As2 is the highest observed critical temperature in hole doped iron arsenide superconductors so far. Therefore, we were able to expand this class of superconductors by oxygen-free compounds with the ThCr2Si2-type structure. Our results suggest, that superconductivity in these systems essentially evolves from the (FeAs)- layers and may occur in other related compounds.",0805.4630v2 2008-06-04,Parton distribution function uncertainties & nuclear corrections for the LHC,"We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a chi^2 analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x_Bj-dependent and Q^2-dependent nuclear correction factors for iron structure functions which are required in global analyses of free nucleon PDFs. We compare our results with nuclear correction factors from neutrino-nucleus scattering models and correction factors for charged lepton-iron scattering. We find that, except for very high x_Bj, our correction factors differ in both shape and magnitude from the correction factors of the models and charged-lepton scattering.",0806.0723v1 2008-08-06,Kondo Effect and Spin Glass Behavior of Dilute Iron Clusters in Silver Studied by Mössbauer Spectroscopy and Resistivity,"Thin films of silver containing 0.3 - 1.5 at % Fe have been prepared by vapor co-deposition. Depending on substrate temperature and iron concentration we could systematically follow the formation of nanometer size clusters of iron from initially dilute iron monomers. samples were characterized via X-ray diffraction, resistivity and M\""{o}ssbauer spectroscopic measurements. The magnetic behavior derived from M\""{o}ssbauer data can be best described with an ensemble of ferromagnetic mono-domain particles. The magnetic freezing observed at low temperatures, is controlled via the inter-particle interactions mediated via conduction electron polarization, i.e. RKKY interaction. The interaction of the cluster magnetic moments with the conduction electron sea is best quantified by the electrical resistivity data. For all studied concentrations we find a non-monotonic variation with temperature which can be understood by competing shielding of the cluster moments by conduction electron spin scattering due to Kondo effect and the magnetic coupling.",0808.0929v1 2008-08-19,Telescopes versus Microscopes: the puzzle of Iron-60,"The discovery that the short-lived radionucleide iron-60 was present in the oldest meteorites suggests that the formation of the Earth closely followed the death of a massive star. I discuss three astrophysical origins: winds from an AGB star, injection of supernova ejecta into circumstellar disks, and induced star formation on the boundaries of HII regions. I show that the first two fail to match the solar system iron-60 abundance in the vast majority of star forming systems. The cores and pillars on the edges of HII regions are spectacular but rare sites of star formation and larger clumps with masses 1e3-1e4 solar masses at tens of parsec from a supernova are a more likely birth environment for our Sun. I also examine gamma-ray observations of iron-60 decay and show that the Galactic background could account for the low end of the range of meteoritic measurements if the massive star formation rate was at least a factor of 2 higher 4.6 Gyr ago.",0808.2506v1 2008-09-30,Effect of the tetrahedral distortion on the electronic properties of iron-pnictides,"We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the density of states and the band structure are sensitive to the distortion of the tetrahedral environment of the iron atoms. This sensitivity is extremely strong in a two-orbital (d_xz, d_yz) model due to the formation of a flat band around the Fermi level. Inclusion of the d_xy orbital destroys the flat band while keeping a considerable angle dependence in the band structure.",0810.0019v2 2008-10-13,"Synthesis, crystal structure and spin-density-wave anomaly of the iron arsenide-fluoride SrFeAsF","The new quaternary iron arsenide-fluoride SrFeAsF with the tetragonal ZrCuSiAs-type structure was synthesized and the crystal structure was determined by X-ray powder diffraction (P4/nmm, a = 399.30(1), c = 895.46(1) pm). SrFeAsF undergoes a structural and magnetic phase transition at 175 K, accompanied by strong anomalies in the specific heat, electrical resistance and magnetic susceptibility. In the course of this transition, the space group symmetry changes from tetragonal (P4/nmm) to orthorhombic (Cmme). 57Fe Moessbauer spectroscopy experiments show a single signal at room temperature at an isomer shift of 0.30(1) mm/s and magnetic hyperfine-field splitting below the phase transition temperature. Our results clearly show that SrFeAsF exhibits a spin density wave (SDW) anomaly at 175 K very similar to LaFeAsO, the parent compound of the iron arsenide-oxide superconductors and thus SrFeAsF may serve as a further parent compound for oxygen-free iron arsenide superconductors.",0810.2120v1 2008-11-22,A simple theory of the Invar effect in iron-nickel alloys,"Certain alloys of iron and nickel (so-called 'Invar' alloys) exhibit almost no thermal expansion over a wide range of temperature. It is clear that this is the result of an anomalous contraction upon heating which counteracts the normal thermal expansion arising from the anharmonicity of lattice vibrations. This anomalous contraction seems to be related to the alloys' magnetic properties, since the effect vanishes at a temperature close to the Curie temperature. However, despite many years of intensive research, a widely accepted microscopic theory of the Invar effect in face-centered-cubic Fe-Ni alloys is still lacking. Here we present a simple theory of the Invar effect in these alloys based on Ising magnetism, ab initio total energy calculations, and the Debye-Gruneisen model. We show that this theory accurately reproduces several well known properties of these materials, including Guillaume's famous plot1 of the thermal expansion coefficient as a function of the concentration of nickel. Within the same framework, we are able to account in a straightforward way for experimentally observed deviations from Vegard's law. Our approach supports the idea that the lattice constant is governed by a few parameters, including the fraction of iron-iron nearest-neighbour pairs.",0811.3673v1 2008-12-17,Nuclear Parton Distribution Functions,"We study nuclear effects of charged current deep inelastic neutrino-iron scattering in the framework of a chi^2 analysis of parton distribution functions (PDFs). We extract a set of iron PDFs which are used to compute x_Bj-dependent and Q^2-dependent nuclear correction factors for iron structure functions which are required in global analyses of free nucleon PDFs. We compare our results with nuclear correction factors from neutrino-nucleus scattering models and correction factors for charged-lepton--iron scattering. We find that, except for very high x_Bj, our correction factors differ in both shape and magnitude from the correction factors of the models and charged-lepton scattering.",0812.3370v1 2008-12-26,Normal State Spin Dynamics of Five-band Model for Iron-pnictides,"Normal state spin dynamics of the recently discovered iron-pnictide superconductors is discussed by calculating spin structure factor S(q, omega) in an itinerant five-band model within RPA approximation. Due to the characteristic Fermi surface structure of iron-pnictide, column like response is found at (pi, 0) in extended Brillouin zone in the undoped case, which is consistent with the recent neutron scattering experiment. This indicates that the localized spin model is not necessary to explain the spin dynamics of this system. Furthermore, we show that the temperature dependence of inelastic neutron scattering intensity can be well reproduced in the itinerant model. We also study NMR 1/T_1T in the same footing calculation and show that the itinerant model can capture the magnetic property of iron-pnictide superconductors.",0812.4664v1 2009-05-11,Antiferromagnetically Driven Electronic Correlation in Iron Pnictides and Cuprates,"The iron pnictides and the cuprates represent two families of materials, where strong antiferromagnetic correlation drives three other distinct ordering tendencies: (1) superconducting pairing, (2) Fermi surface distortion, and (3) orbital current order. We propose that (1)-(3) and the antiferromagnetic correlation are the hallmarks of a class of strongly correlated materials to which the cuprates and pnictides belong. In this paper we present the results of the functional renormalization group studies to support the above claim. In addition, we show that as a function of the interlayer hopping parameter, the double layer Hubbard model nicely interpolates between the cuprate and the iron pnictide physics. Finally, as a check, we will present the renormalization group study of a ladder version of the iron pnictide, and compare the results to those of the two-dimensional model.",0905.1711v2 2009-06-30,New extended atomic data in cool star model atmospheres - Using Kurucz's new iron data in MAFAGS-OS models,"Context. Cool star model atmospheres are a common tool for the investigation of stellar masses, ages and elemental abundance composition. Theoretical atmospheric models strongly depend on the atomic data used when calculating them. Aims. We present the changes in flux and temperature stratification when changing from iron data computed by R.L. Kurucz in the mid 90s to the Kurucz 2009 iron computations. Methods. MAFAGS-OS opacity sampling atmospheres were recomputed with Kurucz 2009 iron atomic data as implemented in the VALD database by Ryabchikova. Temperature stratification and emergent flux distribution of the new version, called MAFAGS-OS9, is compared to the former version and to solar flux measurements. Results. Using the Kurucz line lists converted into the VALD format and new bound-free opacities for Mg i and Al i leads to changes in the solar temperature stratification by not more than 28 K. At the same time, the calculated solar flux distribution shows significantly better agreement between observations and theoretical solar models. These changes in the temperature stratification of the corresponding models are small, but nevertheless of a magnitude that affects stellar parameter determinations and abundance analysis.",0906.5449v1 2009-07-04,Angle-Resolved Photoemission Spectroscopy of Iron-Chalcogenide Superconductor Fe1.03Te0.7Se0.3 : Strong-Coupling Superconductivity and Universality of Inter-Band Scattering,"We have performed high-resolution angle-resolved photoemission spectroscopy of iron-chalcogenide superconductor Fe1.03Te0.7Se0.3 (Tc = 13 K) to investigate the electronic structure relevant to superconductivity. We observed a hole- and an electron-like Fermi surfaces at the Brillouin zone center and corner, respectively, which are nearly nested by the Q~(pi, pi) wave vector. We do not find evidence for the nesting instability with Q~(pi+delta, 0) reminiscent of the antiferromagnetic order in the parent compound Fe1+yTe. We have observed an isotropic superconducting gap along the hole-like Fermi surface with the gap size Delta of ~4 meV (2Delta/kBTc~7), demonstrating the strong-coupling nature of the superconductivity. The observed similarity of low-energy electronic excitations between iron-chalcogenide and iron-arsenide superconductors strongly suggests that common interactions which involve Q~(pi, pi) scattering are responsible for the superconducting pairing.",0907.0763v1 2009-08-19,Sr$_2$VO$_3$FeAs: A Nanolayered Bimetallic Iron Pnictide Superconductor,"One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested. Using the density functional methods that have predicted Fermi surfaces correctly in SrFe$_2$P$_2$, we find that the recently reported superconducting Sr$_2$VO$_3$FeAs, with $T_c$=37 K and no apparent competition between magnetism and superconductivity, possesses different Fermi surface geometry and character than previous classes of iron pnictides. The intervening layer (a V bilayer) gives rise to bands that cross the Fermi level. Coupling to the FeAs layer is small except for interaction along the zone boundary, however that coupling degrades the Fermi surface nesting. Sr$_2$VO$_3$FeAs, with its alternating layers of open shell atoms, deserves further close study that should help to understand the origin of the properties of iron pnictide compounds.",0908.2698v3 2009-09-02,Electronic correlations in the iron pnictides,"In correlated metals derived from Mott insulators, the motion of an electron is impeded by Coulomb repulsion due to other electrons. This phenomenon causes a substantial reduction in the electron's kinetic energy leading to remarkable experimental manifestations in optical spectroscopy. The high-Tc superconducting cuprates are perhaps the most studied examples of such correlated metals. The occurrence of high-Tc superconductivity in the iron pnictides puts a spotlight on the relevance of correlation effects in these materials. Here we present an infrared and optical study on single crystals of the iron pnictide superconductor LaFePO. We find clear evidence of electronic correlations in metallic LaFePO with the kinetic energy of the electrons reduced to half of that predicted by band theory of nearly free electrons. Hallmarks of strong electronic many-body effects reported here are important because the iron pnictides expose a new pathway towards a correlated electron state that does not explicitly involve the Mott transition.",0909.0312v1 2009-10-05,Universal magnetic and structural behaviors in the iron arsenides,"Commonalities among the order parameters of the ubiquitous antiferromagnetism present in the parent compounds of the iron arsenide high temperature superconductors are explored. Additionally, comparison is made between the well established two-dimensional Heisenberg-Ising magnet, K$_2$NiF$_4$ and iron arsenide systems residing at a critical point whose structural and magnetic phase transitions coincide. In particular, analysis is presented regarding two distinct classes of phase transition behavior reflected in the development of antiferromagnetic and structural order in the three main classes of iron arsenide superconductors. Two distinct universality classes are mirrored in their magnetic phase transitions which empirically are determined by the proximity of the coupled structural and magnetic phase transitions in these materials.",0910.0489v1 2009-10-12,Orbital selective local moment formation in iron: first principle route to an effective model,"We revisit a problem of theoretical description of alpha-iron. By performing LDA+DMFT calculations in the paramagnetic phase we find that Coulomb interaction and, in particular Hund exchange, yields the formation of local moments in e_g electron band, which can be traced from imaginary time dependence of the spin-spin correlation function. This behavior is accompanied by non-Fermi-liquid behavior of e_g electrons and suggests using local moment variables in the effective model of iron. By investigating orbital-selective contributions to the Curie-Weiss law for Hund exchange I=0.9 eV we obtain an effective value of local moment of e_g electrons 2p=1.04 mu_B. The effective bosonic model, which allows to describe magnetic properties of iron near the magnetic phase transition, is proposed.",0910.2161v1 2009-12-01,A common magnetic origin for the Invar effects in fcc iron-based ferromagnets,"Using first-principles calculations, in conjunction with Ising magnetism, we undertake a theoretical study to elucidate the origin of the experimentally observed Invar effects in disordered fcc iron-based ferromagnets. First, we show that our theory can account for the Invar effects in iron-nickel alloys, the anomalies being driven by the magnetic contributions to the average free energies. Second, we present evidence indicating that the relationship between thermal expansion and magnetism is essentially the same in all the studied alloys, including those which display the Invar effect and those which do not. Hence we propose that magnetism plays a crucial role in determining whether a system exhibits normal thermal expansion, the Invar effect, or something else. The crucial determining factor is the rate at which the relative orientation of the local magnetic moments of nearest-neighbor iron atoms fluctuates as the system is heated.",0912.0215v4 2009-12-29,London penetration depth and strong pair-breaking in iron-based superconductors,"The low temperature variation of the London penetration depth for a number of iron-pnictide and iron-chalcogenide superconductors is nearly quadratic, $\Delta \lambda(T) = \beta T^n$ with $n\approx 2$. The coefficient in this dependence shows a robust scaling, $\beta \propto 1/T_c^3$ across different families of these materials. We associate the scaling with a strong pair-breaking. The same mechanism have recently been suggested to explain the scalings of the specific heat jump, $\Delta C \propto T_c^3$, and of the slopes of the upper critical field, $dH_{c2}/dT\propto T_c$ in these materials. This suggests that thermodynamic and electromagnetic properties of the iron-based superconductors can be described within a strong pair-breaking scenario.",0912.5346v1 2010-01-08,Effect of time and storing conditions on iron forms in ferrous gluconate and Ascofer,"Antianemic medicament Ascofer and ferrous gluconate, its basic iron bearing ingredient, were studied with the use of Mossbauer spectroscopy. Room temperature spectra gave a clear evidence that two phases of iron were present viz. ferrous (Fe2+) as a major one with a contribution of 85+-5%, and ferric (Fe3+) whose contribution was found to be 15+-5%. However, the actual values of the contributions of the two kind of the iron ions in Ascofer depend on sample's age: the abundance of Fe2+ ions increases with time by 10% after 51 months, while that of Fe3+ decreases by the same amount. This means that an internal reduction of Fe3+ ions takes place. Ferrous ions were shown to occupy at least two different sites. In Ascofer, the relative abundance of the two sites does not depend on the age of sample, while in the gluconate the population of site 1 increases and that of site 2 decreases with the age of the sample.",1001.1218v1 2010-02-08,Evidence for a full energy gap for nickel-pnictide LaNiAsO_{1-x}F_x superconductors by ^{75}As nuclear quadrupole resonance,"We report systematic ^{75}As-NQR and ^{139}La-NMR studies on nickel-pnictide superconductors LaNiAsO_{1-x}F_x (x=0, 0.06, 0.10 and 0.12). The spin lattice relaxation rate 1/T_1 decreases below T_c with a well-defined coherence peak and follows an exponential decay at low temperatures. This result indicates that the superconducting gap is fully opened, and is strikingly different from that observed in iron-pnictide analogs. In the normal state, 1/T_1T is constant in the temperature range T_c \sim 4 K < T <10 K for all compounds and up to T=250 K for x=0 and 0.06, which indicates weak electron correlations and is also different from the iron analog. We argue that the differences between the iron and nickel pnictides arise from the different electronic band structure. Our results highlight the importance of the peculiar Fermi-surface topology in iron-pnictides.",1002.1506v1 2010-02-09,Iron line emission from X-ray pulsars: physical conditions and geometry of the system,"We present here the preliminary results of the study of the fluorescent iron line emission from X-ray pulsars with Be companions. We propose to use properties of this emission to investigate the spatial distribution and physical conditions of the matter around the compact object as well as in the binary system as a whole. Using data of the RXTE observatory the iron line behavior in the transient X-ray pulsar V 0332+53 spectrum was studied during the powerful type II outburst in 2004-2005. Particularly, we investigated a variability of the iron line equivalent width on different time scales (pulse period, orbital period, outburst phase) and searched for its correlation with the continuum flux, spectral parameters, etc.",1002.1898v1 2010-02-12,Low magnetization and anisotropy in the antiferromagnetic state of undoped iron pnictides,"We examine the magnetic phase diagram of iron pnictides using a five band model. For the intermediate values of the interaction expected to hold in the iron pnictides, we find a metallic low moment state characterized by antiparallel orbital magnetic moments. The anisotropy of the interorbital hopping amplitudes is the key to understanding this low moment state. This state accounts for the small magnetization measured in undoped iron pnictides and leads to the strong exchange anisotropy found in neutron experiments. Orbital ordering is concomitant with magnetism and produces the large zx orbital weight seen at Gamma in photoemission experiments.",1002.2584v2 2010-04-06,Anion height dependence of Tc and density of states in iron based superconductors,"Systematic ab initio LDA calculations were performed for all the typical representatives of recently discovered class of iron based high-temperature superconductors: REOFe(As,P) (RE=La,Ce,Nd,Sm,Tb), Ba2Fe2As, (Sr,Ca)FFeAs, Sr4Sc2O6Fe2P2, LiFeAs and Fe(Se,Te). Non-monotonic behavior of total density of states at the Fermi level is observed as a function of anion height relative to Fe layer with maximum at about Dz_a~1.37A, attributed to changing Fe - As (P,Se,Te) hybridization. This leads to a similar dependence of superconducting transition temperature Tc as observed in the experiments. The fit of this dependence to elementary BCS theory produces semiquantitative agreement with experimental data for Tc for the whole class of iron based superconductors. The similar fit to Allen - Dynes formula underestimates Tc in the vicinity of the maximum, signifying the possible importance of non - phonon pairing in this region. These results unambiguously demonstrate that the main effect of Tc variation between different types of iron based superconductors is due to the corresponding variation of the density of states at the Fermi level.",1004.0801v1 2010-06-11,"New Iron Arsenide Oxides (Fe2As2)(Sr4(Sc,Ti)3O8), (Fe2As2)(Ba4Sc3O7.5), and (Fe2As2)(Ba3Sc2O5)","We synthesized new layered iron arsenide oxides (Fe2As2)(Sr4(Sc,Ti)3O8),(Fe2As2)(Ba4Sc3O7.5), and (Fe2As2)(Ba3Sc2O5). The crystal structures of these compounds are tetragonal with a space group of I4/mmm. The structure of (Fe2As2)(Sr4(Sc,Ti)3O8) and (Fe2As2)(Ba4Sc3O7.5) consists of the alternate stacking of antifluorite Fe2As2 layers and triple perovskite-type oxide layers. The interlayer distance between the Fe planes of (Fe2As2)(Ba4Sc3O7.5) is ~18.7 A. Moreover, the a-axis of (Fe2As2)(Ba3Sc2O5) is the longest among the layered iron pnictides, indicating the structural flexibility of the layered iron pnictide containing perovskite-type layers. The bulk sample of (Fe2As2)(Sr4(Sc0.6Ti0.4)3O8) exhibited diamagnetism up to 28 K in susceptibility measurements.",1006.2353v1 2010-07-13,Phase transitions and iron-ordered moment form factor in LaFeAsO,"Elastic neutron scattering studies of an optimized LaFeAsO single crystal reveal that upon cooling, an onset of the tetragonal (T)-to-orthorhombic (O) structural transition occurs at $T_\texttt{S} \approx 156$ K, and it exhibits a sharp transition at $T_\texttt{P} \approx 148$ K. We argue that in the temperature range $T_\texttt{S}$ to $T_\texttt{P}$, T and O structures may dynamically coexist possibly due to nematic spin correlations recently proposed for the iron pnictides, and we attribute $T_\texttt{P}$ to the formation of long-range O domains from the finite local precursors. The antiferromagnetic structure emerges at $T_\texttt{N} \approx 140$ K, with the iron moment direction along the O \emph{a} axis. We extract the iron magnetic form factor and use the tabulated $\langle j_0\rangle$ of Fe, Fe$^{2+}$ and Fe$^{3+}$ to obtain a magnetic moment size of $\sim$0.8 $\mu_\texttt{B}$ at 9.5 K.",1007.2197v1 2010-08-10,Development of Powder-in-Tube Processed Iron Pnictide Wires and Tapes,"The development of the PIT fabrication process of iron pnictide superconducting wires and tapes has been carried out in order to enhance their transport properties. Silver was found to be the best sheath material, since no reaction layer was observed between the silver sheath and the superconducting core. The grain connectivity of iron pnictide wires and tapes has been markedly improved by employing Ag or Pb as dopants. At present, critical current densities in excess of 3750 A/cm^2 (Ic = 37.5 A) at 4.2 K have been achieved on Ag-sheathed SrKFeAs wires prepared with the above techniques, which is the highest in iron-based wires and tapes so far. Moreover, Ag-sheathed Sm-1111 superconducting tapes were successfully prepared by PIT method at temperatures as low as 900C, instead of commonly used temperatures of 1200C. These results demonstrate the feasibility of producing superconducting pnictide composite wires, even grain boundary properties require much more attention.",1008.1735v2 2010-08-10,"Orbital Fluctuation Theory in Iron Pnictides: Effects of As-Fe-As Bond Angle, Isotope Substitution, and $Z^2$-Orbital Pocket on the Superconductivity","We study the pairing mechanism in iron pnictide superconductors based on the five-orbital Hubbard-Holstein model. Due to Fe-ion oscillations, the s-wave superconducting (SC) state without sign reversal (s_{++}-wave state) is induced by orbital fluctuations by using realistic model parameters. The virtue of the present theory is that the famous empirical relation between Tc and the As-Fe-As bond angle is automatically explained, since the electron-phonon (e-ph) coupling that creates the orbital fluctuations is the strongest when the As$_4$-tetrahedron is regular. The negative iron isotope effect is also reproduced. In addition, the magnitude of the SC gap on hole-pockets is predicted to be rather insensitive to the corresponding d-orbital (xz/yz- or z^2-orbital), which is consistent with the recent bulk-sensitive angle-resolved photoemission spectroscopy (ARPES) measurement for (Ba,K)Fe$_2$As$_2$ and BaFe$_2$(As,P)$_2$. These obtained results indicate that the orbital-fluctuation-mediated s_{++}-wave state is a plausible candidate for iron pnictides.",1008.1765v3 2010-09-20,Iron Depletion into Dust Grains in Galactic Planetary Nebulae,"We present preliminary results of an analysis of the iron depletion factor into dust grains for a sample of 20 planetary nebulae (PNe) from the Galactic bulge. We compare these results with the ones we obtained in a prior analysis of 28 Galactic disk PNe and 8 Galactic H II regions. We derive high depletion factors in all the objects, suggesting that more than 80% of their iron atoms are condensed into dust grains. The range of iron depletions in the sample PNe covers about two orders of magnitude, and we explore here if the differences are related to the PN morphology. However, we do not find any significant correlation.",1009.3945v1 2010-10-25,The melting curve of iron at extreme pressures: implications for planetary cores,"Exoplanets with masses similar to that of Earth have recently been discovered in extrasolar systems. A first order question for understanding their dynamics is to know whether they possess Earth like liquid metallic cores. However, the iron melting curve is unknown at conditions corresponding to planets of several times the Earth's mass (over 1500 GPa for planets with 10 times the Earth's mass (ME)). In the density-temperature region of the cores of those super-Earths, we calculate the iron melting curve using first principle molecular dynamics simulations based on density functional theory. By comparing this melting curve with the calculated thermal structure of Super Earths, we show that planets heavier than 2ME, have solid cores, thus precluding the existence of an internal metallic-core driven magnetic field. The iron melting curve obtained in this study exhibits a steeper slope than any calculated planetary adiabatic temperature profile rendering the presence of molten metallic cores less likely as sizes of terrestrial planets increase.",1010.5133v1 2010-11-01,Quantitative magnetic force microscopy on permalloy dots using an iron filled carbon nanotube probe,"We have characterized a new Magnetic Force Microscopy (MFM) probe based on an iron filled carbon nanotube (FeCNT) using MFM imaging on permalloy (Py) disks saturated in a high magnetic field perpendicular to the disk plane. The experimental data are accurately modeled by describing the FeCNT probe as having a single magnetic monopole at its tip whose effective magnetic charge is determined by the diameter of the iron wire enclosed in the carbon nanotube and its saturation magnetization 4 \pi M_s ~ 2.2 x 10^4 G. A magnetic monopole probe enables quantitative measurements of the magnetic field gradient close to the sample surface. The lateral resolution is defined by the diameter of the iron wire ~15 nm and the probe-sample separation. As a demonstration, the magnetic field gradients close to the surface of a Py dot in domain and vortex states were imaged.",1011.0389v1 2010-11-29,Antiferromagnetic order in multi-band Hubbard models for iron-pnictides,"We investigate multi-band Hubbard models for the three iron 3$d$-$t_{2g}$ bands and the two iron 3$d$-$e_g$ bands in ${\rm La O Fe As}$ by means of the Gutzwiller variational theory. Our analysis of the paramagnetic ground state shows that neither Hartree--Fock mean-field theories nor effective spin models describe these systems adequately. In contrast to Hartree--Fock-type approaches, the Gutzwiller theory predicts that antiferromagnetic order requires substantial values of the local Hund's-rule exchange interaction. For the three-band model, the antiferromagnetic moment fits experimental data for a broad range of interaction parameters. However, for the more appropriate five-band model, the iron $e_g$ electrons polarize the $t_{2g}$ electrons and they substantially contribute to the ordered moment.",1011.6219v1 2010-12-13,Rigidity dependence of cosmic ray escape length in the Galaxy obtained from a comparison of proton and iron spectra in the range 3-3000 GV,"The simple leaky-box model of propagation of cosmic rays in the Galaxy is quite suitable for handling data on cosmic ray nuclei energy spectra and composition at E ? 1 GeV [1,2]. In the leakybox model a full information about cosmic ray propagation in Galaxy is compressed to the single parameter - escape length, Xe, characterizing mean grams of a matter passed by cosmic rays from sources to the Earth. In this paper we analyze the world data on proton and iron cosmic ray spectra collected in the past (HEAO, CRN et al.) and in series of recent electronic experiments (ATIC, CREAM, MS, BESS, Tracer et al.) and obtain the rigidity dependence of escape length, Xe(R) = R^(-0.47\pm-0.03), from the measured rigidity dependence of the protons/iron ratio. It quite agrees with the one stimated in standard manner from the secondary/primary nuclei ratio. But at R > 300 GV the behavior of Xe(R)distinctly changes, that can (variant of explanation)point out to the change of proton/iron ratio in cosmic ray sources.",1012.2722v1 2010-12-30,Pressure-Driven Quantum Criticality in An Iron-Selenide Superconductor,"The discovery of superconductivity of about 30 K in iron selenides with very large magnetic moments simulates the examination of completing orders. Here we report a finding of pressure- induced suppression of the superconducting transition temperature Tc and enhancement of the temperature of the resistance hump TH through charge transfer between two iron sites with different occupancies. The activation energy for the electric transport of the high-temperature resistance is observed to go to zero at a critical pressure of 8.7 GPa, at which superconductivity tends to disappear and the semiconductor-to-metal transition takes place. Beyond the critical point, the resistance exhibits a metallic behavior over the whole temperature range studied. All these features indicate the existence of quantum criticality in iron-selenide superconductors.",1101.0092v3 2011-01-05,Dust production and mass loss in the Galactic globular cluster 47 Tucanae,"Dust production among post-main-sequence stars is investigated in the Galactic globular cluster 47 Tucanae (NGC 104) based on infrared photometry and spectroscopy. We identify metallic iron grains as the probable dominant opacity source in these winds. Typical evolutionary timescales of AGB stars suggest the mass-loss rates we report are too high. We suggest that this is because the iron grains are small or elongated and/or that iron condenses more efficiently than at solar metallicity. Comparison to other works suggests metallic iron is observed to be more prevalent towards lower metallicities. The reasons for this are explored, but remain unclear. Meanwhile, the luminosity at which dusty mass loss begins is largely invariant with metallicity, but its presence correlates strongly with long-period variability. This suggests that the winds of low-mass stars have a significant driver that is not radiation pressure, but may be acoustic driving by pulsations.",1101.1096v1 2011-01-20,Spin-state crossover and hyperfine interactions of ferric iron in MgSiO$_3$ perovskite,"Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral (A) and octahedral (B) site. As the pressure increases, the B-site iron undergoes a spin-state crossover to the low-spin state ($S=1/2$), while the A-site iron remains in the high-spin state. Our calculation shows that the B-site spin-state crossover in the pressure range of 40-70 GPa is accompanied by a noticeable volume reduction and an increase in quadrupole splitting, consistent with recent X-ray diffraction and M\""ossbauer spectroscopy measurements. The volume reduction leads to a significant softening in the bulk modulus, which suggests a possible source of seismic velocity anomalies in the lower mantle.",1101.3819v2 2011-03-09,Interstitial iron tuning of the spin fluctuations in Fe1+xTe,"Using neutron inelastic scattering, we investigate the low-energy spin fluctuations in Fe1+xTe as a function of both temperature and interstitial iron concentration. For Fe1.057(7)Te the magnetic structure is defined by a commensurate wavevector of (1/2,0,1/2). The spin fluctuations are gapped with a sharp onset at 7 meV and are three dimensional in momentum transfer, becoming two dimensional at higher energy transfers. On doping with interstitial iron, we find in Fe1.141(5)Te the ordering wavevector is located at the (0.38, 0, 1/2) position and the fluctuations are gapless with the intensity peaked at an energy transfer of 4 meV. These results show that the spin fluctuations in the Fe1+xTe system a can be tuned not only through selenium doping, but also with interstitial iron. We also compare these results with superconducting concentrations and in particular the resonance mode in the Fe_1+xTe_1-ySe_y system.",1103.1811v2 2011-03-18,First-principles Studies for the Hydrogen Doping Effects on Iron-based Superconductors,"We study hydrogen doping effects in an iron-based superconductor LaFeAsO_(1-y) by using the first-principles calculation and explore the reason why the superconducting transition temperature is remarkably enhanced by the hydrogen doping. The present calculations reveal that a hydrogen cation stably locating close to an iron atom attracts a negatively-charged FeAs layer and results in structural distortion favorable for further high temperature transition. In fact, the lattice constant a averaged over the employed supercell shrinks and then the averaged As-Fe-As angle approaches 109.74 degrees with increasing the hydrogen doping amount. Moreover, the calculations clarify electron doping effects of the solute hydrogen and resultant Fermi-level shift. These insights are useful for design of high transition-temperature iron-based superconductors.",1103.3560v1 2011-04-18,Optimized Orthogonal Basis Tight Binding. Application to Iron,"The formal link between the linear combination of atomic orbitals approach to density functional theory and two-center Slater-Koster tight-binding models is used to derive an orthogonal $d$-band tight-binding model for iron with only two fitting parameters. The resulting tight-binding model correctly predicts the energetic ordering of the low energy iron-phases, including the ferromagnetic BCC, antiferromagnetic FCC, HCP and topologically close-packed structures. The energetics of test structures that were not included in the fit are equally well reproduced as those included, thus demonstrating the transferability of the model. The simple model also gives a good description of the vacancy formation energy in the nonmagnetic FCC and ferromagnetic BCC iron lattices.",1104.3598v1 2011-05-26,"Iron abundance in the prototype PG1159 star, GW Vir pulsator PG1159-035, and related objects","We performed an iron abundance determination of the hot, hydrogen deficient post-AGB star PG1159-035, which is the prototype of the PG1159 spectral class and the GW Vir pulsators, and of two related objects (PG1520+525, PG1144+005), based on the first detection of Fe VIII lines in stellar photospheres. In another PG1159 star, PG1424+535, we detect Fe VII lines. In all four stars, each within Teff = 110,000 - 150,000 K, we find a solar iron abundance. This result agrees with our recent abundance analysis of the hottest PG1159 stars (Teff = 150,000 - 200,000 K) that exhibit Fe X lines. On the whole, we find that the PG1159 stars are not significantly iron deficient, in contrast to previous notions.",1105.5276v1 2011-06-02,Ab-initio molecular dynamics simulation of hydrogen diffusion in $α$-iron,"First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $\alpha$-iron. Hydrogen to Iron ratios between $\theta=1/16 and 1/2 have been considered by locating interstitial hydrogen atoms at random positions in a $2 \times 2 \times 2$ supercell. We find that the average optimum absorption site and the barrier for diffusion depend on the concentration of interestitials. Iron Debye temperature decreases monotonically for increasing concentration of interstitial hydrogen, proving that iron-iron interatomic potential is significantly weakened in the presence of a large number of diffusing hydrogen atoms.",1106.0464v1 2011-07-11,Impairment of double exchange mechanism in electron transport of iron pnictides,"Double exchange mechanism is believed to favor transport along ferromagnetic directions, the failure of which in explaining the unusual resistivity anisotropy in iron pnictides is investigated. Several factors intrinsic to the microscopic mechanism of transport in iron pnictides are identified and analyzed, including the moderate Hund's coupling, low local moment, and presence of two anisotropic degenerate orbitals xz and yz. In particular, the substantial second neighbor hoppings are found to be decisive in giving results opposite to the double exchange picture. In high temperature nonmagnetic phase, orbital ordering is shown to give the right trend of resistivity anisotropy as observed experimentally, advocating its essential role in electron transport of iron pnictides.",1107.1952v1 2011-07-12,Revealing the dual nature of magnetism in iron pnictides and iron chalcogenides using x-ray emission spectroscopy,"We report Fe K beta x-ray emission spectroscopy study of local magnetic moments in various iron based superconductors in their paramagnetic phases. Local magnetic moments are found in all samples studied: PrFeAsO, Ba(Fe,Co)2As2, LiFeAs, Fe1+x(Te,Se), and A2Fe4Se5 (A=K, Rb, and Cs). The moment size varies significantly across different families. Specifically, all iron pnictides samples have local moments of about 1 $\mu_B$/Fe, while FeTe and K2Fe4Se5 families have much larger local moments of ~2$\mu_B$/Fe, ~3.3$\mu_B$/Fe, respectively. In addition, we find that neither carrier doping nor temperature change affects the local moment size.",1107.2211v1 2011-08-13,Imaging the coexistence of superconductivity and a charge density modulation in K0.73Fe1.67Se2 superconductor,"We report scanning tunneling microscopy studies of the local structural and electronic properties of the iron selenide superconductor K0.73Fe1.67Se2 with TC = 32K. On the atomically resolved FeSe surface, we observe well-defined superconducting gap and the microscopic coexistence of a charge density modulation with root2*root2 periodicity with respect to the original Se lattice. We propose that a possible origin of the pattern is the electronic superstructure caused by the block antiferromagnetic ordering of the iron moments. The widely expected iron vacancy ordering is not observed, indicating that it is not a necessary ingredient for superconductivity in the intercalated iron selenides.",1108.2798v1 2011-10-03,Block Antiferromagnetism and Checkerboard Charge Ordering in Alkali-doped Iron Selenides $R$$_{1-x}$Fe$_{2-y}$Se$_2$,"By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which each four Fe sites group together in tetragonal structure. The checkerboard phase is the ground state with a block antiferromagnetic (AFM) order and a small charge density wave order in the absence of superconductivity. Both of them can also coexist with superconductivity. The results explain mysterious $2\times 2$ ordered patterns and hidden orders observed in various different experiments, clarify the missing link between AFM and superconducting phases, suggest that the block-AFM state is the parent state, and unify the understanding of various observed phases in alkali-doped iron selenides.",1110.0372v1 2011-11-25,Growth and electronic and magnetic structure of iron oxide films on Pt(111),"Ultrathin (111)-oriented polar iron oxide films were grown on a Pt(111) single crystal either by the reactive deposition of iron or oxidation of metallic iron monolayers. These films were characterized using low energy electron diffraction, scanning tunneling microscopy and conversion electron Mossbauer spectroscopy. The reactive deposition of Fe led to the island growth of Fe3O4, in which the electronic and magnetic properties of the bulk material were modulated by superparamagnetic size effects for thicknesses below 2 nm, revealing specific surface and interface features. In contrast, the oxide films with FeO stoichiometry, which could be stabilized as thick as 4 nm under special preparation conditions, had electronic and magnetic properties that were very different from their bulk counterpart, w\""ustite. Unusual long range magnetic order appeared at room temperature for thicknesses between three and ten monolayers, the appearance of which requires severe structural modification from the rock-salt structure.",1111.5938v2 2011-12-07,Relativistic iron K X-ray Reverberation in NGC 4151,"Recent X-ray observations have enabled the study of reverberation delays in AGN for the first time. All the detections so far are in sources with a strong soft excess, and the measured delay is between the hard (1-3 keV) direct continuum and the soft excess (0.5-1 keV), interpreted as the reflection continuum smeared by relativistic effects. There is however an inherent ambiguity in identifying and studying the details of the lines in the soft excess. Here we report the first detection of reverberation in the iron K band in any AGN. Using XMM-Newton observations of NGC 4151, we find delays of order 2000 s on time-scales of 10e5 s between the 5-6 keV band and 2-3 and 7-8 keV bands, with a broad lag profile resembling a relativistically-broadened iron line. The peak of the lag spectra shifts to lower energies at higher frequencies, consistent with the red wing of the line being emitted at smaller radii, as expected from reflection off the inner accretion disk. This is a first detection of a broad iron line using timing studies.",1112.1717v2 2012-02-06,Unconventional superconducting gap via spin fluctuations in iron-vacancy ordered A$_{y}$Fe$_{2-x}$Se$_{2}$,"Based on an effective 12-orbital tight-binding model, we examine the superconducting states induced by the antiferromagnetic fluctuations for iron-vacancy-ordered A$_{y}$Fe$_{2-x}$Se$_{2}$. It is shown that due to the broken reflection symmetry induced by the iron vacancies, new superconducting states with $C_{4h}$ symmetry emerge. In particular, we show that in the $C_{4h}$ symmetry, symmetric axes of the pairing momenta do not need to coincide with axes of the unit cell. As a result, in addition to the magnitude of the pairing gap, the relative orientation of the pairing wave function to the lattice forms another degree of freedom for characterizing the superconducting gap and can further help in gaining the condensation energy. Nonetheless, similar to other iron-based superconductors, the singlet ground state is still dominated by s-wave or d-wave, which are nearly degenerate with anisotropic gaps. Furthermore, s-wave and d-wave superconducting states are separated by a quantum critical point controlled by the Hund's rule coupling $J_{H}$.",1202.1063v2 2012-02-17,Electronic and Magnetic Structures of Chain Structured Iron Selenide Compounds,"Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain (or ladder) structures, their electronic structures are not close to be quasi-1D. The magnetic exchange couplings between two nearest-neighbor (NN) chains in 2212\ast and between two NN two-leg-ladders in 123\ast are both antiferromagnetic (AFM), which is consistent with the presence of significant third NN AFM coupling, a common feature shared in other iron-chalcogenides, FeTe (11\ast) and KyFe2-xSe2 (122\ast). In magnetic ground states, each Fe chain of 2212\ast is ferromagnetic and each two-leg ladder of 123\ast form a block-AFM structure. We suggest that all magnetic structures in iron-selenide compounds can be unified into an extended J1-J2-J3 model. Spin-wave excitations of the model are calculated and can be tested by future experiments on these two systems.",1202.4016v1 2012-03-11,Iron-Based Superconductors: $S_4$ Symmetry Superconductors,"I elaborate the construction of the recent two-orbital model for iron-based superconductors\cite{hu-hao} and discuss the properties of superconducting(SC) phases based on the $S_4$ symmetry. I demonstrate further that the underlining electronic structure is an almost decoupled two-orbital model obeying the $S_4$ symmetry. I discuss the classification of the SC states according to the $S_4$ symmetry, which leads to a natural prediction that there are two different phases even in the proposed $A_{1g}$ s-wave SC state of iron-based superconductors and the sign change in the SC state should be hidden between the upper and lower As(Se) layer in a single Fe-(As)Se layer, an analogy of the sign change under the $90^\circ$ degree rotation in the d-wave SC state of cuprates. The $S_4$ symmetry makes iron-based superconductors a unique class of superconductors with promising device applications.",1203.2304v3 2012-06-27,Quantum Monte Carlo Study of Pairing Symmetry and Correlation in Iron-based Superconductors,"We perform a systematic quantum Monte Carlo study of the pairing correlation in the $S_4$ symmetric microscopic model for iron-based superconductors. It is found that the pairing with an extensive s-wave symmetry robustly dominates over other pairings at low temperature in reasonable parameter region. The pairing susceptibility, the effective pairing interaction and the $(\pi,0)$antiferromagnetic correlation strongly increase as the on-site Coulomb interaction increases, indicating the importance of the effect of electron-electron correlation. Our non-biased numerical results provide a unified understanding of superconducting mechanism in iron-pnictides and iron-chalcogenides and demonstrate that the superconductivity is driven by strong electron-electron correlation effects.",1206.6277v2 2012-07-23,A general moment NRIXS approach to the determination of equilibrium Fe isotopic fractionation factors: application to goethite and jarosite,"We measured the reduced partition function ratios for iron isotopes in goethite FeO(OH), potassium-jarosite KFe3(SO4)2(OH)6, and hydronium-jarosite (H3O)Fe3(SO4)2(OH)6, by Nuclear Resonant Inelastic X-Ray Scattering (NRIXS, also known as Nuclear Resonance Vibrational Spectroscopy -NRVS- or Nuclear Inelastic Scattering -NIS) at the Advanced Photon Source. These measurements were made on synthetic minerals enriched in 57Fe. A new method (i.e., the general moment approach) is presented to calculate {\beta}-factors from the moments of the NRIXS spectrum S(E). The first term in the moment expansion controls iron isotopic fractionation at high temperature and corresponds to the mean force constant of the iron bonds, a quantity that is readily measured and often reported in NRIXS studies.",1207.5559v1 2012-08-28,Orbital-selective Mott Phase in Multiorbital Models for Alkaline Iron Selenides K(1-x)Fe(2-y)Se2,"We study a multiorbital model for the alkaline iron selenides K(1-x)Fe(2-y)Se2 using a slave-spin method. With or without ordered vacancies, we identify a metal-to-Mott-insulator transition at the commensurate filling of six 3d electrons per iron ion. For Hund's couplings beyond a threshold value, this occurs via an intermediate orbital-selective Mott phase, in which the 3d xy orbital is Mott localized while the other 3d orbitals remain itinerant. This phase is still stabilized over a range of carrier dopings. Our results lead to an overall phase diagram for the alkaline iron selenides, which provides a unified framework to understand the interplay between the strength of vacancy order and carrier doping. In this phase diagram, the orbital-selective Mott phase provides a natural link between the superconducting K(1-x)Fe(2-y)Se2 and its Mott-insulating parent compound.",1208.5547v1 2012-08-30,A Short Review of the $S_4$ Symmetric Microscopic Model for Iron-Based High Temperature Superconductors,"We briefly review the recently constructed two orbital microscopic model for iron-based superconductors based on $S_4$ symmetry (PRX 2 021009(2012)). With this faithful representation of the kinematics of the tri-layer FeAs or FeSe structure, the model provides answers and physical pictures to fundamental questions related to the robustness of superconductivity and pairing symmetry, unifies different families of iron-based superconductors, casts new insight into the connections to the other high $T_c$ superconductors, cuprates, and reveals why an s-wave pairing can be stabilized by repulsive interactions. Further progresses include that the model provides a clean understanding of band reconstruction observed in magnetically ordered states, which is a strong support to the kinematics of the $S_4$ model, and captures the essential low energy physics of iron-based superconductors based on numerical results from unbiased quantum Monte Carlo simulation.",1208.6201v1 2012-12-17,The first-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate,"We present the theoretical study of thermodynamical properties of fcc-Cu(001) substrate covered by iron-cobalt monolayer as well as by incomplete iron layer. The effective two-dimensional Heisenberg Hamiltonian is constructed from first principles and properties of exchange interactions are investigated. The Curie temperatures are estimated using the Monte-Carlo (MC) simulations and compared with a simplified approach using the random-phase approximation (RPA) in connection with the virtual-crystal approach (VCA) to treat randomness in exchange integrals. Calculations indicate a weak maximum of the Curie temperature as a function of composition of the iron-cobalt overlayer. While a good quantitative agreement between RPA-VCA and MC was found for iron-cobalt monolayer, the RPA-VCA approach fails quantitatively for low coverage due to the magnetic percolation effect. We also present the study of the effect of alloy disorder on the shape of magnon spectra of random overlayers.",1212.4057v1 2013-02-22,Nematicity driven by hybridization in iron-based superconductors,"In this paper we study an effective model for the normal state of iron-based superconductors. It has separate, but interacting itinerant and localized degrees of freedom, originating from the d_xz and d_yz, and from d_xy iron orbitals respectively. At low temperatures, below a mean-field phase transition, these different states condense together in an excitonic order parameter. We show that at even lower temperature, after another phase transition, this ordered state can spontaneously break the C_4 lattice symmetry and become nematic. We propose this mechanism as an explanation of the tendency towards nematicity observed in several iron-based compounds.",1302.5739v2 2013-03-04,Broad K$α$ iron line from accretion disks around traversable wormholes,"It has been proposed that the supermassive black hole candidates at the centers of galaxies might be wormholes formed in the early Universe and connecting our Universe with other sister Universes. The analysis of the profile of the relativistic K$\alpha$ iron line is currently the only available approach to probe the spacetime geometry around these objects. In this paper, I compute the expected K$\alpha$ iron line in some wormhole spacetimes and I compare the results with the line produced around Kerr black holes. The line produced in accretion disks around non-rotating or very slow-rotating wormholes is relatively similar to the one expected around Kerr black holes with mid or high value of spin parameter and current observations are still marginally compatible with the possibility that the supermassive black hole candidates in galactic nuclei are these objects. For wormholes with spin parameter $a_* \gtrsim 0.02$, the associated K$\alpha$ iron line is instead quite different from the one produced around Kerr black holes, and their existence may already be excluded.",1303.0624v2 2013-03-11,Mechanism for Odd Parity Superconductivity in Iron-Based Superconductors,"Under the assumption that superconducting pairing is driven by local d-p hybridization, we show that the superconducting state in iron-based superconductors is classified as an odd parity s-wave spin-singlet pairing state in a single trilayer FeAs/Se, the building block of the materials. In a low energy effective model with only d-orbitals in an iron square bipartite lattice, the superconducting order parameter in this state is a combination of a s-wave normal pairing between two sublattices and a s-wave $\eta$-pairing within the sublattices. Parity conservation was violated in proposed superconducting states in the past. The results demonstrate iron-based superconductors being a new quantum state of matter and suggest that a measurement of odd parity can establish fundamental principles related to high temperature superconducting mechanism.",1303.2624v2 2013-03-25,Upturn observed in heavy nuclei to iron ratios by the ATIC-2 experiment,"The ratios of fluxes of heavy nuclei from sulfur (Z=16) to chromium (Z=24) to the flux of iron were measured by the ATIC-2 experiment. The ratios are decreasing functions of energy from 5 GeV/n to approximately 80 GeV/n, as expected. However, an unexpected sharp upturn in the ratios are observed for energies above 100 GeV/n for all elements from Z=16 to Z=24. Similar upturn but with lower amplitude was also discovered in the ATIC-2 data for the ratio of fluxes of abundant even nuclei (C, O, Ne, Mg, Si) to the flux of iron. Therefore the spectrum of iron is significantly different from the spectra of other abundant even nuclei.",1303.6108v1 2013-04-08,Spin states of iron impurities in magnesium oxide under pressure: A possible intermediate state,"Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an isolated impurity in magnesium oxide, which is the condition of ferropericlase under which iron-iron interactions could be neglected. The calculations were carried using the all-electron full-potential linearized augmented plane wave method within the density functional theory in the generalized gradient approximation plus the on-site Hubbard correction. We present the electronic and magnetic properties, electric and magnetic hyperfine splitting of this impurity in high and low spin states for several charge states at zero pressure, which were then extended to high pressures. For the impurity in the neutral charge state, our results indicated that there is a metastable intermediate spin state (S=1), in addition to the high (S=2) and low (S=0) spin states. Those results were discussed in the context of an intermediate spin state, experimentally identified in ferrosilicate perovskite.",1304.2227v1 2013-05-15,Iron impurities in gold and silver: Comparison of transport measurements to numerical renormalization group calculations exploiting non-Abelian symmetries,"We consider iron impurities in the noble metals gold and silver and compare experimental data for the resistivity and decoherence rate to numerical renormalization group results. By exploiting non-Abelian symmetries we show improved numerical data for both quantities as compared to previous calculations [Costi et al., Phys. Rev. Lett. 102, 056802 (2009)], using the discarded weight as criterion to reliably judge the quality of convergence of the numerical data. In addition we also carry out finite-temperature calculations for the magnetoresistivity of fully screened Kondo models with S = 1/2, 1 and 3/2, and compare the results with available measurements for iron in silver, finding excellent agreement between theory and experiment for the spin-3/2 three-channel Kondo model. This lends additional support to the conclusion of Costi et al. that the latter model provides a good effective description of the Kondo physics of iron impurities in gold and silver.",1305.3551v2 2013-07-08,K$α$ iron line profile from accretion disks around regular and singular exotic compact objects,"The nature of the super-massive black hole candidates in galactic nuclei can be tested by analyzing the profile of the K$\alpha$ iron line observed in their X-ray spectrum. In this paper, we consider the possibility that the spacetime in the immediate vicinity of these objects may be described by some non vacuum exact solutions of Einstein's equations resulting as the end-state of gravitational collapse. The vacuum far away portion of the spacetime is described by the Schwarzschild metric, while the interior part may be either regular or have a naked singularity at the center. The iron line generated around this class of objects has specific features, which can be used to distinguish such objects from Kerr black holes. In particular, their iron line cannot have the characteristic low-energy tail of the line generated from accretion disks around fast-rotating Kerr black holes. We can thus conclude that the super-massive black hole candidates whose spin parameter has been estimated to be close to 1 assuming the Kerr background cannot be this kind of objects.",1307.2106v2 2013-07-18,Iron Line Variability of Discoseismic Corrugation Modes,"Using a fast semi-analytic raytracing code, we study the variability of relativistically broadened iron lines due to discoseismic oscillations concentrated in the inner-most regions of accretion discs around black holes. The corrugation mode, or c-mode, is of particular interest as its natural frequency corresponds well to the ~0.1-15Hz range observed for low-frequency quasi-periodic oscillations (LFQPOs) for lower spins. Comparison of the oscillation phase dependent variability and QPO-phase stacked iron line observations will allow such discoseismic models to be confirmed or ruled out as a source of particular LFQPOs. The spectral range and frequency of the variability of the iron line due to corrugation modes can also potentially be used to constrain the black hole spin if observed with sufficient temporal and spectral resolution.",1307.4971v1 2013-07-31,Determination of the iron content of Cepheids from the shape of their light curves,"We present the study of the metallicity dependence of the Fourier amplitude ratios R_21 and R_31 for the light curves of short-period Galactic classical Cepheids in B, V, R_C and I_C bands. Based on the available photometric and spectroscopic data we determined the relations between the atmospheric iron abundance, [Fe/H], and the Fourier parameters. Using these relations we calculated the photometric [Fe/H] values of all program Cepheids with an average accuracy of 0.15 dex. No spectroscopic iron abundance was known before for 14 of these stars. These empirical results provide an alternate method to determine the iron abundance of classical Cepheids too faint for spectroscopic observations. We also checked whether the metal-poor Cepheids of both Magellanic Clouds follow the same relationships, and a good agreement was found.",1307.8275v1 2013-08-19,Broad iron lines in neutrons stars: dynamical broadening or wind scattering?,"Broad iron emission lines are observed in many accreting systems from black holes in AGN and X-ray binaries to neutron star low-mass X-ray binaries. The origin of the line broadening is often interpreted as due to dynamical broadening and relativistic effects. However, alternative interpretations have been proposed, included broadening due to Compton scattering in a wind or accretion disk atmosphere. Here we explore the observational signatures expected from broadening in a wind, in particular that the iron line width should increase with an increase in the column density of the absorber (due to an increase in the number of scatterings). We study the data from three neutron star low-mass X-ray binaries where both a broad iron emission line and absorption lines are seen simultaneously, and show that there is no significant correlation between line width and column density. This favors an inner disk origin for the line broadening rather than scattering in a wind.",1308.4023v1 2013-09-17,A Chandra view of the clumpy reflector at the heart of the Circinus galaxy,"We present a spectral and imaging analysis of the X-ray reflecting structure at the heart of the Circinus galaxy, investigating the innermost regions surrounding the central black hole. By studying an archival 200 ks Chandra ACIS-S observation, we are able to image the extended clumpy structure responsible for both cold reflection of the primary radiation and neutral iron Ka line emission. We measure an excess of the equivalent width of the iron Ka line which follows an axisymmetric geometry around the nucleus on a hundred pc scale. Spectra extracted from different regions confirm a scenario in which the dominant mechanism is the reflection of the nuclear radiation from Compton-thick gas. Significant differences in the equivalent width of the iron Ka emission line (up to a factor of 2) are found. It is argued that these differences are due to different scattering angles with respect to the line of sight rather than to different iron abundances.",1309.4456v1 2013-10-15,Atomic structure of grain boundaries in iron modeled using the atomic density function,"A model based on the continuous atomic density function (ADF) approach is applied to predict the atomic structure of grain boundaries (GBs) in iron. Symmetrical [100] and [110] tilt GBs in bcc iron are modeled with the ADF method and relaxed afterwards in molecular dynamics (MD) simulations. The shape of the GB energy curve obtained in the ADF model reproduces well the peculiarities of the angles of 70.53 deg. [$\Sigma$ 3(112)] and 129.52 deg. [$\Sigma$ 11(332)] for [110] tilt GBs. The results of MD relaxation with an embedded-atom method potential for iron confirm that the atomic GB configurations obtained in ADF modeling are very close to equilibrium ones. The developed model provides well-localized atomic positions for GBs of various geometries.",1310.3964v2 2013-12-17,Ground state pairing correlations in the $S_4$ symmetric microscopic model for iron-based superconductors,"We present the ground state pairing correlations in the $S_4$ symmetric microscopic model for iron-based superconductors, computed with the constrained-path Monte Carlo method. For various electron fillings and interaction strengths, we find that the $s_{xy}$ pairing dominates over other pairing correlations and is positive when the pair separation exceeds several lattice constants, whatever for iron pnictides and iron chlcogenides. These ground state properties, especially the long range part pairing correlations re-confirm the previous finite temperature results published in Phys. Rev. Lett. 110, 107002(2013). We further our study by including the nearest neighbour interaction $V$ and it is found that the $s_{xy}$ pairing correlation is slightly suppressed by the increasing $V$.",1312.4777v2 2014-03-05,Electrical and optical properties of fluid iron from compressed to expanded regime,"Using quantum molecular dynamics simulations, we show that the electrical and optical properties of fluid iron change drastically from compressed to expanded regime. The simulation results reproduce the main trends of the electrical resistivity along isochores and are found to be in good agreement with experimental data. The transition of expanded fluid iron into a nonmetallic state takes place close to the density at which the constant volume derivative of the electrical resistivity on internal energy becomes negative. The study of the optical conductivity, absorption coefficient, and Rosseland mean opacity shows that, quantum molecular dynamics combined with the Kubo-Greenwood formulation provides a powerful tool to calculate and benchmark the electrical and optical properties of iron from expanded fluid to warm dense region.",1403.1030v1 2014-06-07,Optical conductivity of iron-based superconductors,"The new family of unconventional iron-based superconductors discovered in 2006 immediately relieved their copper-based high-temperature predecessors as the most actively studied superconducting compounds in the world. The experimental and theoretical effort made in order to unravel the mechanism of superconductivity in these materials has been overwhelming. Although our understanding of their microscopic properties has been improving steadily, the pairing mechanism giving rise to superconducting transition temperatures up to 55 K remains elusive. And yet the hope is strong that these materials, which possess a drastically different electronic structure but similarly high transition temperatures compared to the copper-based compounds, will shed essential new light onto the several-decade-old problem of unconventional superconductivity. In this work we review the current understanding of the itinerant-charge-carrier dynamics in the iron-based superconductors and parent compounds largely based on the optical-conductivity data the community has gleaned over the past seven years using such experimental techniques as reflectivity, ellipsometry, and terahertz transmission measurements and analyze the implications of these studies for the microscopic properties of the iron-based materials as well as the mechanism of superconductivity therein.",1406.1879v1 2014-06-09,Manipulation of gap nodes by uniaxial strain in iron-based superconductors,"In the iron pnictides and chalcogenides, multiple orbitals participate in the superconducting state, enabling different gap structures to be realized in distinct materials. Here we argue that the spectral weights of these orbitals can in principle be controlled by a tetragonal symmetry-breaking uniaxial strain, due to the enhanced nematic susceptibility of many iron-based superconductors. By investigating multi-orbital microscopic models in the presence of orbital order, we show that not only $T_{c}$ can be enhanced, but pairs of accidental gap nodes can be annihilated and created in the Fermi surface by an increasing external strain. We explain our results as a mixture of nearly-degenerate superconducting states promoted by strain, and show that the annihilation and creation of nodes can be detected experimentally via anisotropic penetration depth measurements. Our results provide a promising framework to externally control the superconducting properties of iron-based materials.",1406.2388v2 2014-07-24,Parallax diagnostics of radiation source geometric dilution for iron opacity experiments,"Experimental tests are in progress to evaluate the accuracy of the modeled iron opacity at solar interior conditions [J.E. Bailey et al., Phys. Plasmas 16, 058101 (2009)]. The iron sample is placed on top of the Sandia National Laboratories z-pinch dynamic hohlraum (ZPDH) radiation source. The samples are heated to 150 - 200 eV electron temperatures and 7e21 - 4e22 e/cc electron densities by the ZPDH radiation and backlit at its stagnation [T. Nagayama et al., Phys. Plasmas 21, 056502 (2014)]. The backlighter attenuated by the heated sample plasma is measured by four spectrometers along +/- 9 degree with respect to the z-pinch axis to infer the sample iron opacity. Here we describe measurements of the source-to-sample distance that exploit the parallax of spectrometers that view the half-moon-shaped sample from +/-9 degree. The measured sample temperature decreases with increased source-to-sample distance. This distance must be taken into account for understanding the sample heating.",1407.6645v1 2014-09-23,Superconductivity and its mechanism in an ab initio model for electron-doped LaFeAsO,"Two families of high temperature superconductors whose critical temperatures are higher than 50K are known. One is the copper oxides and the other is the iron-based superconductors. Comparisons of mechanisms between these two in terms of common ground as well as distinctions will greatly help in searching for higher Tc superconductors. However, studies on mechanisms for the iron family based on first principles calculations are few. Here we first show that the superconductivity emerges in the state-of-the-art numerical calculations for an ab initio multi-orbital model of an electron-doped iron-based superconductor LaFeAsO, in accordance with experimental observations. Then the mechanism of the superconductivity is identified as enhanced uniform density fluctuations by one-to-one correspondence with the instability toward inhomogeneity driven by first-order antiferromagnetic and nematic transitions. Despite many differences, certain common features with the copper oxides are also figured out in terms of the underlying orbital selective Mottness found in the iron family.",1409.6536v1 2014-10-14,Entangled Orbital Triplet Pairs in Iron-Based Superconductors,"A key question in high temperature iron-based superconductivity is the mechanism by which the paired electrons minimize their strong mutual Coulomb repulsion. While electronically paired superconductors generally avoid the Coulomb interaction through the formation of nodal, higher angular momentum pairs, iron based superconductors appear to form singlet s-wave (s$^{\pm}$) pairs. By taking the orbital degrees of freedom of the iron atoms into account, here we argue that the s$^{\pm}$ state in these materials possesses internal d-wave structure, in which a relative d-wave ($L=2$) motion of the pairs entangles with the ($I=2$) internal angular momenta of the d-orbitals to form a low spin $J=L+I=0$ singlet. We discuss how the recent observation of a nodal gap with octahedral structure in KFe$_{2}$As$_{2}$ can be understood as a high spin ($J=L+I=4$) configuration of the orbital and isospin angular momenta; the observed pressure-induced phase transition into a fully gapped state can then interpreted as a high-to-low spin phase transition of the Cooper pairs.",1410.3554v1 2014-10-27,First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle,"Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute $\sim 95$ vol\% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing magnesium silicate (MgSiO$_3$) perovskite. Despite great strides made in the past decade, the existence of intermediate-spin (IS) state in ferrous iron (Fe$^{2+}$) (with total electron spin $S=1$) and its possible role in the pressure-induced spin crossover in these lower-mantle minerals still remain controversial. Using density functional theory $+$ self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we investigate all possible types of IS states of Fe$^{2+}$ in (Mg,Fe)O and (Mg,Fe)SiO$_3$ perovskite. Among the possible IS states in these minerals, the most probable IS state has an electronic configuration that significantly reduces the electron overlap and the iron nuclear quadrupole splitting (QS). These most probable IS states, however, are still energetically disfavored, and their QSs are inconsistent with M\""{o}ssbauer spectra. We therefore conclude that IS Fe$^{2+}$ is highly unlikely in the Earth's lower mantle.",1410.7200v1 2014-12-04,"Magnetism of the Fe$^{2+}$ and Ce$^{3+}$ sublattices in Ce$_{2}$O$_{2}$FeSe$_{2}$: a combined neutron powder diffraction, inelastic neutron scattering and density functional study","The discovery of superconductivity in the 122 iron selenide materials above 30 K necessitates an understanding of the underlying magnetic interactions. We present a combined experimental and theoretical investigation of magnetic and semiconducting Ce$_{2}$O$_{2}$FeSe$_{2}$ composed of chains of edge-linked iron selenide tetrahedra. The combined neutron diffraction and inelastic scattering study and density functional calculations confirm the ferromagnetic nature of nearest-neighbour Fe -- Se -- Fe interactions in the ZrCuSiAs-related iron oxyselenide Ce$_{2}$O$_{2}$FeSe$_{2}$. Inelastic measurements provide an estimate of the strength of nearest-neighbor Fe -- Fe and Fe -- Ce interactions. These are consistent with density functional theory calculations, which reveal that correlations in the Fe--Se sheets of Ce$_{2}$O$_{2}$FeSe$_{2}$ are weak. The Fe on-site repulsion $U_{Fe}$ is comparable to that reported for oxyarsenides and K$_{1-x}$Fe$_{2-y}$Se$_{2}$, which are parents to iron-based superconductors.",1412.1773v1 2014-12-23,"Atomic, electronic and magnetic structure of graphene/iron and nickel interfaces: theory and experiment","First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms of the metallic substrates. The coverage of the iron surface by mono- and few-layer graphene induces significant changes in the orbital occupancies and exchange interactions between the layers in contrast to the case of a nickel substrate for which changes in the orbital ordering and exchange interactions are much smaller. Experimental measurements demonstrate the presence of ferromagnetic fcc-iron in Fe@C nanoparticles and the superparamagnetic behavior of Ni@C nanoparticles.",1412.7291v1 2015-03-20,Thermoelasticity of Fe2+-bearing bridgmanite,"We present LDA+U calculations of high temperature elastic properties of bridgmanite with composition (Mg$_{(1-x)}$Fe$_{x}^{2+}$)SiO$_3$ for $0\le{x}\le0.125$. Results of elastic moduli and acoustic velocities for the Mg-end member (x=0) agree very well with the latest high pressure and high temperature experimental measurements. In the iron-bearing system, we focus particularly on the change in thermoelastic parameters across the state change that occurs in ferrous iron above $\sim$30 GPa, often attributed to a high-spin (HS) to intermediate spin (IS) crossover but explained by first principles calculations as a lateral displacement of substitutional iron in the perovskite cage. We show that the measured effect of this change on the equation of state of this system can be explained by the lateral displacement of substitutional iron, not by the HS to IS crossover. The calculated elastic properties of (Mg$_{0.875}$Fe$_{0.125}^{2+}$)SiO$_3$ along an adiabatic mantle geotherm, somewhat overestimate longitudinal velocities but produce densities and shear velocities quite consistent with Preliminary Reference Earth Model data throughout most of the lower mantle.",1503.05983v1 2015-05-07,Type Ia Supernova Remnants: Shaping by Iron Bullets,"Using 2D numerical hydrodynamical simulations of type Ia supernova remnants (SNR Ia) we show that iron clumps few times denser than the rest of the SN ejecta might form protrusions in an otherwise spherical SNR. Such protrusions exist in some SNR Ia, e.g., SNR 1885 and Tycho. Iron clumps are expected to form in the deflagration to detonation explosion model. In SNR Ia where there are two opposite protrusions, termed ears, such as Kepler's SNR and SNR G1.9+0.3, our scenario implies that the dense clumps, or iron bullets, were formed along an axis. Such a preferred axis can result from a rotating white dwarf progenitor. If our claim holds, this offers an important clue to the SN Ia explosion scenario.",1505.02034v2 2015-07-13,Electronic and magnetic properties of orthorhombic iron selenide (FeSe),"Iron orbitals in orthorhombic iron selenide (FeSe) can produce charge-like multipoles that are polar (parity-odd). Orbitals in question include Fe(3d), Fe(4p) and p-type ligands that participate in transport properties and bonding. The polar multipoles may contribute weak, space-group forbidden Bragg spots to diffraction patterns collected with x-rays tuned in energy to a Fe atomic resonance (Templeton & Templeton scattering). Ordering of conventional, axial magnetic dipoles does not accompany the tetragonal-orthorhombic structural phase transition in FeSe, unlike other known iron-based superconductors. We initiate a new line of inquiry for this puzzling property of orthorhombic FeSe, using a hidden magnetic-order that belongs to the m'm'm' magnetic crystal-class. It is epitomized by the absence of ferromagnetism and axial magnetic dipoles, and the appearance of magnetic monopoles and magneto-electric quadrupoles. A similar magnetic order occurs in cuprate superconductors, YBCO & Hg1201, where it was unveiled with the Kerr effect and in Bragg diffraction patterns revealed by polarized neutrons. PACS number 75.25.-j",1507.03449v3 2015-07-16,Feasibility of pulsed inflector for g-2ring (1),"We revise a possibility of usage iron-free fast pulsed magnet as inflector for g-2 ring, coming to conclusion that it is a feasible option.",1507.04796v1 2015-08-06,Charge Nematicity and Electronic Raman Scattering in Iron-based Superconductors,"We review the recent developments in electronic Raman scattering measurements of charge nematic fluctuations in iron-based superconductors. A simple theoretical framework of a $d$-wave Pomeranchuk transition is proposed in order to capture the salient features of the spectra. We discuss the available Raman data in the normal state of 122 iron-based systems, particularly Co doped BaFe$_2$As$_2$, and we show that the low energy quasi-elastic peak, the extracted nematic susceptibility and the scattering rates are consistent with an electronic driven structural phase transition. In the superconducting state with a full gap the quasi-elastic peak transforms into a finite frequency nematic resonance, evidences for which are particularly strong in the electron doped systems. A crucial feature of the analysis is the fact that the electronic Raman signal is unaffected by the acoustic phonons. This makes Raman spectroscopy a unique probe of electronic nematicity.",1508.01319v2 2015-08-29,Competing Magnetic Fluctuations in Iron Pnictide Superconductors: Role of Ferromagnetic Spin Correlations Revealed by NMR,"In the iron pnictide superconductors, theoretical calculations have consistently shown enhancements of the static magnetic susceptibility at both the stripe-type antiferromagnetic (AFM) and in-plane ferromagnetic (FM) wavevectors. However, the possible existence of FM fluctuations has not yet been examined from a microscopic point of view. Here, using $^{75}$As NMR data, we provide clear evidence for the existence of FM spin correlations in both the hole- and electron-doped BaFe$_2$As$_2$ families of iron-pnictide superconductors. These FM fluctuations appear to compete with superconductivity and are thus a crucial ingredient to understanding the variability of $T_{\rm c}$ and the shape of the superconducting dome in these and other iron-pnictide families.",1508.07506v1 2015-12-23,Giant biquadratic interaction induced magnetic anisotropy in the iron-based superconductor AxFe2-ySe2,"The emergence of the electron-pocket only iron-based superconductor AxFe2-ySe2 (A = alkali metal) challenges the Fermi-surface nesting picture established in iron-pnictides. It was widely believed that magnetism is correlated with the superconductivity in AxFe2-ySe2. Unfortunately, the highly anisotropic exchange parameters and the disagreement between theoretical calculations and experimental results triggered a fierce debate on the nature of magnetism in AxFe2-ySe2. Here we find that the strong magnetic anisotropy is from the anisotropic biquadratic interaction. In order to accurately obtain the magnetic interaction parameters, we propose a universal method, which does not need including other high energy configurations as did in conventional energy mapping method. We show that our model successfully captures the magnetic interactions in AxFe2-ySe2 and correctly predicts the spin wave spectrum, in quantitative agreement with the experimental observation. These results suggest that the local moment picture, including the biquadratic term, can describe accurately the magnetic properties and spin excitations in AxFe2-ySe2, which sheds new light on the future study of the high-Tc iron-based superconductors.",1512.07327v1 2016-01-08,Isotropic Cooper Pairs with Emergent Sign Changes in Single-Layer Iron Superconductor,"We model a single layer of heavily electron-doped FeSe by spin-1/2 moments over a square lattice of iron atoms that include the 3d xz and 3d yz orbitals, at strong on-site Coulomb repulsion. Above half filling, we find emergent hole bands below the Fermi level at the center of the one-iron Brillouin zone in a half metal state characterized by hidden magnetic order and by electron-type Fermi surface pockets at wavenumbers that double the unit cell along the principal axes. ""Replicas"" of the emergent hole bands exist at lower energy in the two-iron Brillouin zone. Exact calculations with two mobile electrons find evidence for isotropic Cooper pairs that alternate in sign between the electron bands and the emergent hole bands.",1601.01860v3 2016-03-18,Stability mechanisms of high current transport in iron-chalcogenides superconducting films,"The improvement in the fabrication techniques of iron-based superconductors have made these materials real competitors of high temperature superconductors and MgB$_2$. In particular, iron-chalcogenides have proved to be the most promising for the realization of high current carrying tapes. But their use on a large scale cannot be achieved without the understanding of the current stability mechanisms in these compounds. Indeed, we have recently observed the presence of flux flow instabilities features in Fe(Se,Te) thin films grown on CaF$_2$. Here we present the results of current-voltage characterizations at different temperatures and applied magnetic fields on Fe(Se,Te) microbridges grown on CaF$_2$. These results will be analyzed from the point of view of the most validated models with the aim to identify the nature of the flux flow instabilities features (i.e., thermal or electronic), in order to give a further advance to the high current carrying capability of iron-chalcogenide superconductors.",1603.05980v1 2016-05-15,Nonlocal correlations in the vicinity of the $α$-$γ$ phase transition in iron within a DMFT plus spin-fermion model approach,"We consider nonlocal correlations in iron in the vicinity of the $\alpha$-$\gamma$ phase transition within the spin-rotationally-invariant dynamical mean-field theory (DMFT) approach, combined with the recently proposed spin-fermion model of iron. The obtained nonlocal corrections to DMFT yield a decrease of the Curie temperature of the $\alpha$ phase, leading to an agreement with its experimental value. We show that the corresponding nonlocal corrections to the energy of the $\alpha$ phase are crucially important to obtain the proximity of energies of $\alpha$ and $\gamma$ phases in the vicinity of the iron $\alpha$-$\gamma$ transformation.",1605.04589v2 2016-06-01,Quasi-particle bands and structural phase transition of iron from Gutzwiller Density-Functional Theory,"We use the Gutzwiller Density Functional Theory to calculate ground-state properties and bandstructures of iron in its body-centered-cubic (bcc) and hexagonal-close-packed (hcp) phases. For a Hubbard interaction $U=9\, {\rm eV}$ and Hund's-rule coupling $J=0.54\, {\rm eV}$ we reproduce the lattice parameter, magnetic moment, and bulk modulus of bcc iron. For these parameters, bcc is the ground-state lattice structure at ambient pressure up to a pressure of $p_{\rm c}=41\, {\rm GPa}$ where a transition to the non-magnetic hcp structure is predicted, in qualitative agreement with experiment ($p_{\rm c}^{\rm exp}=10\ldots 15\, {\rm GPa}$). The calculated bandstructure for bcc iron is in good agreement with ARPES measurements. The agreement improves when we perturbatively include the spin-orbit coupling.",1606.00307v1 2016-08-03,Moiré-free ultrathin iron oxide film: FeO(111) on Ag(111),"Ultrathin iron oxide films epitaxially grown on the (111)- and (0001)-oriented metal single crystal supports exhibit unique electronic, catalytic and magnetic properties not observed for the corresponding bulk oxides. These properties originate mainly from the presence of Moir\'e superstructures which, in turn, disqualify ultrathin films as model systems imitating bulk materials. We present a route for the preparation of a close-packed Moir\'e-free ultrathin iron oxide film, namely FeO(111) on Ag(111). Experimental scanning tunneling microscopy (STM), low energy electron diffraction (LEED) and x-ray photoelectron spectroscopy (XPS) results confirm perfect structural order in the film. Density functional theory (DFT)-based calculations suggest full relaxation of the oxide layer that adopts the atomic lattice of the crystalline support and exhibits properties similar to those of a free-standing FeO. The results open new pathways for model-type studies of electronic, catalytic and magnetic properties of fully-relaxed iron oxide films and related systems.",1608.01376v2 2016-08-21,Coexistence of antiferromagnetic and ferromagnetic spin correlations in Ca(Fe1-xCox)2As2 revealed by 75As nuclear magnetic resonance,"Recent nuclear magnetic resonance (NMR) measurements revealed the coexistence of stripe-type antiferromagnetic (AFM) and ferromagnetic (FM) spin correlations in both the hole- and electron-doped BaFe$_2$As$_2$ families of iron-pnictide superconductors by a Korringa ratio analysis. Motivated by the NMR work, we investigate the possible existence of FM fluctuations in another iron pnictide superconducting family, Ca(Fe$_{1-x}$Co$_x$)$_2$As$_2$. We re-analyzed our previously reported data in terms of the Korringa ratio and found clear evidence for the coexistence of stripe-type AFM and FM spin correlations in the electron-doped CaFe$_2$As$_2$ system. These NMR data indicate that FM fluctuations exist in general in iron-pnictide superconducting families and thus must be included to capture the phenomenology of the iron pnictides.",1608.05952v1 2016-08-29,Frustrated magnetism and bicollinear antiferromagnetic order in FeTe,"Iron chalcogenides display a rich variety of electronic orders in their phase diagram. A particularly enigmatic case is FeTe, a metal which possesses co-existing hole and electron Fermi surfaces as in the iron pnictides but has a distinct ($\pi$/2,$\pi/2$) bicollinear antiferromagnetic order in the Fe square lattice. While local-moment physics has been recognized as essential for understanding the electronic order, it has been a long-standing challenge to understand how the bicollinear antiferromagnetic ground state emerges in a proper quantum spin model. We show here that a bilinear-biquadratic spin-$1$ model on a square lattice with nonzero ring-exchange interactions exhibits the bicollinear antiferromagnetic order over an extended parameter space in its phase diagram. Our work shows that frustrated magnetism in the quantum spin model provides a unified description of the electronic orders in the iron chalcogenides and iron pnictides.",1608.08206v1 2016-09-12,Spin excitations in hole-overdoped iron-based superconductors,"Understanding the overall features of magnetic excitation is essential for clarifying the mechanism of Cooper pair formation in iron-based superconductors. In particular, clarifying the relationship between magnetism and superconductivity is a central challenge because magnetism may play a key role in their exotic superconductivity. BaFe2As2 is one of ideal systems for such investigation because its superconductivity can be induced in several ways, allowing a comparative examination. Here we report a study on the spin fluctuations of the hole-overdoped iron-based superconductors Ba1-xKxFe2As2 (x = 0.5 and 1.0; Tc = 36 K and 3.4 K, respectively) over the entire Brillouin zone using inelastic neutron scattering. We find that their spin spectra consist of spin wave and chimney-like dispersions. The chimney-like dispersion can be attributed to the itinerant character of magnetism. The band width of the spin wave-like dispersion is almost constant from the non-doped to optimum-doped region, which is followed by a large reduction in the overdoped region. This suggests that the superconductivity is suppressed by the reduction of magnetic exchange couplings, indicating a strong relationship between magnetism and superconductivity in iron-based superconductors.",1609.03335v1 2016-09-21,Nematicity at the Hund's metal crossover in iron superconductors,"The theoretical understanding of the nematic state of iron-based superconductors and especially of FeSe is still a puzzling problem. Although a number of experiments calls for a prominent role of local correlations and place iron superconductors at the entrance of a Hund metal state, the effect of the electronic correlations on the nematic state has been theoretically poorly investigated. In this work we study the nematic phase of iron superconductors accounting for local correlations, including the effect of the Hund's coupling. We show that Hund's physics strongly affects the nematic properties of the system. It severely constraints the precise nature of the feasible orbital-ordered state and induces a differentiation in the effective masses of the zx=yz orbitals in the nematic phase. The latter effect leads to distinctive signatures in different experimental probes, so far overlooked in the interpretation of experiments. As notable examples the splittings between zx and yz bands at Gamma and M points are modified, with important consequences for ARPES measurements.",1609.06672v2 2016-10-27,Influence of multiorbitals and anisotropic Coulomb interactions on isotope effect coefficient in doped Fe-based superconductors,"The present work describes the theoretical analysis of isotope effect coefficient as a function of transition temperature in two orbital per site model Hamiltonian in iron based superconducting system. The expression of isotope effect coefficient has been computed numerically and self-consistently by employing Green's function technique within the BCS-mean-field approximation. It is observed that the isotope effect coefficient increases with the increase of the hybridization while with the increase in Coulomb interaction it starts decreasing. On increasing the carrier density per site in two orbital per site iron pnictide system, isotope effect coefficient ($\alpha$) exhibits large values (much higher than BCS limit) at lower temperatures. While in the underdoped case, isotope effect coefficient shows minimum value in superconducting states of the iron based systems. Furthermore, it has been found that the large value of the isotope effect coefficient is the indication of the fact that the contribution of phonon alone is inadequate as the origin of superconductivity in these systems. Finally, the obtained theoretical results have been compared with experimental and existing theoretical observations in iron based superconductors.",1610.08888v1 2016-11-01,Missing Fe: hydrogenated iron nanoparticles,"Although it was found that the FeH lines exist in the spectra of some stars, none of the spectral features in the ISM have been assigned to this molecule. We suggest that iron atoms interact with hydrogen and produce Fe-H nanoparticles which sometimes contain many H atoms. We calculate infrared spectra of hydrogenated iron nanoparticles using density functional theory methods and find broad, overlapping bands. Desorption of H2 could induce spinning of these small Fe-H dust grains. Some of hydrogenated iron nanoparticles posses magnetic and electric moments and should interact with electromagnetic fields in the ISM. Fe_nH_m nanoparticles could contribute to the polarization of the ISM and the anomalous microwave emission. We discuss the conditions required to form FeH and Fe_nH_m in the ISM.",1611.00309v1 2016-11-25,Modeling the Anomalous Microwave Emission with Spinning Nanoparticles: No PAHs Required,"In light of recent observational results indicating an apparent lack of correlation between the Anomalous Microwave Emission (AME) and mid-infrared emission from polycyclic aromatic hydrocarbons (PAHs), we assess whether rotational emission from spinning silicate and/or iron nanoparticles could account for the observed AME without violating observational constraints on interstellar abundances, ultraviolet extinction, and infrared emission. By modifying the SpDust code to compute the rotational emission from these grains, we find that nanosilicate grains could account for the entirety of the observed AME, whereas iron grains could be responsible for only a fraction, even for extreme assumptions on the amount of interstellar iron concentrated in ultrasmall iron nanoparticles. Given the added complexity of contributions from multiple grain populations to the total spinning dust emission, as well as existing uncertainties due to the poorly-constrained grain size, charge, and dipole moment distributions, we discuss generic, carrier-independent predictions of spinning dust theory and observational tests that could help identify the AME carrier(s).",1611.08597v1 2017-01-18,Phase-separation control of K$_x$Fe$_{2-y}$Se$_2$ superconductor through rapid-quenching process,"K$_x$Fe$_{2-y}$Se$_2$ exhibits an iron-vacancy ordering at $T_{\rm s} {\sim}270{\deg}$C and separates into two phases: a minor superconducting (iron-vacancy-disordered) phase and a major non-superconducting (iron-vacancy-ordered) phase. The microstructural and superconducting properties of this intermixture can be tuned by an appropriate control of the quenching process through $T_{\rm s}$. A faster quenching rate leads to a finer microstructure and a suppression of formation of the non-superconducting phase by up to 50%. Nevertheless, such a faster cooling rate does induce a monotonic reduction in the superconducting transition temperature (from 30.7 K down to 26.0 K) and, simultaneously, a decrease in the iron content within the superconducting phase such that the compositional ratio changed from K$_{0.35}$Fe$_{1.83}$Se$_2$ to K$_{0.58}$Fe$_{1.71}$Se$_2$.",1701.04911v2 2017-05-19,The phonon softening due to melting of the ferromagnetic order in elemental iron,"We study the fundamental question of the lattice dynamics of a metallic ferromagnet in the regime where the static long range magnetic order is replaced by the fluctuating local moments embedded in a metallic host. We use the \textit{ab initio} Density Functional Theory(DFT)+embedded Dynamical Mean-Field Theory(eDMFT) functional approach to address the dynamic stability of iron polymorphs and the phonon softening with increased temperature. We show that the non-harmonic and inhomogeneous phonon softening measured in iron is a result of the melting of the long range ferromagnetic order, and is unrelated to the first order structural transition from the BCC to the FCC phase, as is usually assumed. We predict that the BCC structure is dynamically stable at all temperatures at normal pressure, and is only thermodynamically unstable between the BCC-$\alpha$ and the BCC-$\delta$ phase of iron.",1705.06877v2 2017-06-21,"Emergent phases in iron pnictides: Double-Q antiferromagnetism, charge order and enhanced nematic correlations","Electron correlations produce a rich phase diagram in the iron pnictides. Earlier theoretical studies on the correlation effect demonstrated how quantum fluctuations weaken and concurrently suppress a $C_2$-symmetric single-Q antiferromagnetic order and a nematic order. Here we examine the emergent phases near the quantum phase transition. For a $C_4$-symmetric collinear double-Q antiferromagnetic order, we show that it is accompanied by both a charge order and an enhanced nematic susceptibility. Our results provide understanding for several intriguing recent experiments in hole-doped iron arsenides, and bring out common physics that underlies the different magnetic phases of various iron-based superconductors.",1706.07087v2 2017-09-26,Timing and Charge measurement of single gap Resistive Plate Chamber Detectors for INO-ICAL Experiment,"The recently approved India-based Neutrino Observatory will use the world's largest magnet to study atmospheric muon neutrinos. The 50 kiloton Iron Calorimeter consists of iron alternating with single-gap resistive plate chambers. A uniform magnetic field of $\sim$1.5 T is produced in the iron using toroidal-shaped copper coils. Muon neutrinos interact with the iron target to produce charged muons, which are detected by the resistive plate chambers, and tracked using orthogonal pick up strips. Timing information for each layer is used to discriminate between upward and downward traveling muons. The design of the readout electronics for the detector depends critically on an accurate model of the charge induced by the muons, and the dependence on bias voltages. In this paper, we present timing and charge response measurements using prototype detectors under different operating conditions. We also report the effect of varying gas mixture, particularly $SF_6$, on the timing response.",1709.08946v1 2018-01-03,Distinguishing black holes and naked singularities with iron line spectroscopy,"It is commonly thought that the final product of gravitational collapse is a black hole. Nevertheless, theoretical studies have not yet provided a final answer to the question whether black holes are the only possible outcome or whether naked singularities are also allowed. Observational tests may thus represent a complementary approach. In the present paper, we consider the Janis-Newman-Winicour metric, which describes a rotating source with a surface-like naked singularity. We calculate iron line shapes in the reflection spectrum of a putative disk around a Janis-Newman-Winicour singularity and we compare our results with the iron line shapes expected in the spectrum of a Kerr black hole. While it is difficult to distinguish the two spacetimes from the iron line shape in general, it seems that Janis-Newman-Winicour singularities cannot mimic fast-rotating Kerr black holes observed at a low or moderate inclination angle. Our analysis thus suggests that available observations of specific sources can already constrain the possible existence of Janis-Newman-Winicour singularities in the Universe.",1801.00867v2 2018-01-24,Evidence for a neutral iron line generated by MeV protons from supernova remnants interacting with molecular clouds,"Supernova remnants (SNRs) have been prime candidates for Galactic cosmic-ray accelerators. When low-energy cosmic-ray protons (LECRp) collide with interstellar gas, they ionize neutral iron atoms and emit the neutral iron line (Fe I K$\alpha$) at 6.40keV. We search for the iron K-shell line in seven SNRs from the Suzaku archive data of the Galactic plane in the $6^{\circ} \lesssim l \lesssim 40^{\circ}, |b| < 1^{\circ}$ region. All these SNRs interact with molecular clouds. We discover Fe I K$\alpha$ line emissions from five SNRs (W28, Kes 67, Kes 69, Kes 78, and W44). The spectra and morphologies suggest that the Fe I K$\alpha$ line is produced by interactions between LECRp and the adjacent cold gas. The proton energy density is estimated to be $\gtrsim$ 10-100 eV cm$^{-3}$, which is more than 10 times higher than that in the ambient interstellar medium.",1801.07881v1 2018-02-11,Two-dimensional Iron Monocarbide with Planar Hypercoordinate Iron and Carbon,"We report on the theoretical discovery of Iron monocarbide binary sheets stabilized at two-dimensional confined space, which we call tetragonal-FeC (t-FeC) and orthorhombic-FeC (o-FeC), respectively. From the energy viewpoint, the proposed t-FeC is the global minimum configuration in the 2D space, and each carbon atom is four-coordinated with ambient four Iron atoms. Strikingly, the o-FeC monolayer is an orthorhombic phase with planar pentacoordinate carbon moiety and planar seven-coordinate Fe moiety. To our knowledge, this monolayer is the first example of a simultaneously pentacoordinate carbon and planar seven-coordinate Fe-containing material. State-of-the-art theoretical calculations confirm that all these monolayers have significantly dynamic, mechanical, and thermal stabilities. Among these two monolayers, t-FeC monolayer shows a higher theoretical capacity (395 mAh g-1 ), and can stably adsorb Li up to t-FeCLi3 . Low migration energy barrier is predicted as small as 0.26 eV for Li, which result in the fast diffusion of Li atom on this monolayer. Moreover, electron-phonon calculations coupled with Bardeen-Cooper-Schrieffer arguments suggest t-FeC can be potential two-dimensional superconductors with 6.77 K superconducting transition temperature.",1802.03673v1 2018-03-01,Strong electronic correlations and Fermi surface reconstruction in the quasi-one dimensional iron superconductor BaFe2S3,"BaFe2S3 is a special iron superconductor with two-leg ladder structure which can help to unravel the role played by the electronic correlations in high-Tc superconductivity. At zero pressure it is insulating with stripe antiferromagnetic (AF) order and superconductivity emerges under pressure. We use a slave-spin technique to analyze the strength of the local correlations in BaFe2S3. We find that at the pressure at which the superconductivity appears the electronic correlations in BaFe2S3 are similar to the ones measured in other iron superconductors. However, at zero pressure the strength of the correlations is strongly enhanced, being particularly severe for the two orbitals with the largest weight at the Fermi level what invalidates nesting as the mechanism for AF. The system is not a Mott insulator at zero temperature, but these two orbitals with mass enhancements m* ~ 12-15 will become incoherent at higher temperatures. Different from what happens in other iron superconductors, at both pressures, the Fermi surface is reconstructed by the electronic correlations.",1803.00282v1 2018-03-28,Iron line spectroscopy with Einstein-dilaton-Gauss-Bonnet black holes,"Einstein-dilaton-Gauss-Bonnet gravity is a well-motivated alternative theory of gravity that emerges naturally from string theory. While black hole solutions have been known in this theory in numerical form for a while, an approximate analytical metric was obtained recently by some of us, which allows for faster and more detailed analysis. Here we test the accuracy of the analytical metric in the context of X-ray reflection spectroscopy. We analyze innermost stable circular orbits (ISCO) and relativistically broadened iron lines and find that both the ISCO and iron lines are determined sufficiently accurately up to the limit of the approximation. We also find that, though the ISCO increases by about 7% as dilaton coupling increases from zero to extremal values, the redshift at ISCO changes by less than 1%. Consequently, the shape of the iron line is much less sensitive to the dilaton charge than expected.",1803.10819v1 2018-04-13,Subsurface Cation Vacancy Stabilization of the Magnetite (001) Surface,"Iron oxides play an increasingly prominent role in heterogeneous catalysis, hydrogen production, spintronics and drug delivery. The surface or material interface can be performance limiting in these applications, so it is vital to determine accurate atomic-scale structures for iron oxides and understand why they form. Using a combination of quantitative low-energy electron diffraction, scanning tunneling microscopy, and density functional theory calculations, we show that an ordered array of subsurface iron vacancies and interstitials underlies the well-known (rt2xrt2)R45{\deg} reconstruction of Fe3O4(001). This hitherto unobserved stabilization mechanism occurs because the iron oxides prefer to redistribute cations in the lattice in response to oxidizing or reducing environments. Many other metal oxides also achieve stoichiometric variation in this way, so such surface structures are likely commonplace.",1804.04836v1 2018-04-21,Iron line spectroscopy of black holes in asymptotically safe gravity,"We study the iron line shape expected in the reflection spectrum of accretion disks around black holes in asymptotically safe gravity. We compare the results of our simulations with the iron line shapes expected in the reflection spectrum of accretion disks around Kerr black holes to see if the technique of iron line spectroscopy can be used as a tool to test asymptotically safe gravity. Our analysis shows that current X-ray facilities are surely unable to distinguish black holes in asymptotically safe gravity from black holes in Einstein's gravity. In the case of the next generation of X-ray missions, which promise to provide unprecedented high quality data, the question remains open because it cannot be addressed within our simplified model.",1804.07955v2 2018-04-30,New iron-based multiferroics with improper ferroelectricity,"In this contribution to the special issue on magnetoelectrics and their applications, we focus on some single phase multiferroics theoretically predicted and/or experimentally discovered by the authors in recent years. In these materials, iron is the common core element. However, these materials are conceptually different from the mostly-studied BiFeO$_3$, since their ferroelectricity is improper. Our reviewed materials are not simply repeating one magnetoelectric mechanism, but cover multiple branches of improper ferroelectricity, including the magnetism-driven ferroelectrics, geometric ferroelectric, as well as electronic ferroelectric driven by charge ordering. In this sense, these iron-based improper ferroelectrics can be an encyclopaedic playground to explore the comprehensive physics of multiferroics and magnetoelectricity. Furthermore, the unique characteristics of iron's $3d$ orbitals make some of their magnetoelectric properties quite prominent, comparing with the extensively-studied Mn-based improper multiferroics. In addition, these materials establish the crossover between multiferroics and other fields of functional materials, which enlarges the application scope of multiferroics.",1804.11125v1 2018-05-23,Single-crystal growth of iron-based superconductor La$_{0.34}$Na$_{0.66}$Fe$_2$As$_2$,"We report single-crystal growth of La$_{0.34}$Na$_{0.66}$Fe$_2$As$_2$ iron-based superconductor with the size of several millimeters. The samples were accidentally obtained in trying to grow LaFeAsO$_{1-y}$F$_y$ ( $y \geq$ 0.8 ) single crystals with NaAs and NaF flux. The sample shows both antiferromagnetic and structural transitions at 106 K. The superconducting transition temperature is about 27 K with the superconducting anisotropy of about 1.9. These values and the temperature dependence of the Hall coefficient suggest that La$_{0.34}$Na$_{0.66}$Fe$_2$As$_2$ belongs to hole-doped ""122"" families of iron pnictides with the doping level slightly lower than optimal doping. Compared with previous reports on the polycrystalline samples, our results suggest that either $T_c$ of the this system can be further increased, or the superconducting dome may not be well formed in this system. In either case, the La$_{0.5-x}$Na$_{0.5+x}$Fe$_2$As$_2$ system provides a new platform to study the antiferromagnetic and superconducting properties of iron-based superconductors.",1805.08923v2 2018-06-16,Iron Line Spectroscopy of Black Holes in Vector-Tensor Galileons Modified Gravity,"Recently, a rotating black hole solution was found in Vector-Tensor Galileons modified gravity that has some significant differences from the Kerr black hole solution. We study the iron line shape that is part of the reflection spectrum of accretion disks around black holes in this new black hole solution. We simulate and compare the iron lines of this solution with those of the Kerr solution to see if the technique of iron line spectroscopy can be used as a tool to test Vector-Tensor Galileons modified gravity. Our analysis shows that current X-ray facilities can, in principle, be used to test and place constraints on Vector-Tensor Galileons modified gravity in the strong coupling and ultraspinning regimes.",1806.06240v2 2018-08-07,Forming Mercury by Giant Impacts,"The origin of Mercury's high iron-to-rock ratio is still unknown. In this work we investigate Mercury's formation via giant impacts and consider the possibilities of a single giant impact, a hit-and-run, and multiple collisions in one theoretical framework. We study the standard collision parameters (impact velocity, mass ratio, impact parameter), along with the impactor's composition and the cooling of the target. It is found that the impactor's composition affects the iron distribution within the planet and the final mass of the target by up to 15\%, although the resulting mean iron fraction is similar. We suggest that an efficient giant impact requires to be head-on with high velocities, while in the hit-and-run case the impact can occur closer to the most probable collision angle (45$^{\circ}$). It is also shown that Mercury's current iron-to-rock ratio can be a result of multiple-collisions, with their exact number depending on the collision parameters. Mass loss is found to be more significant when the collisions are tight in time.",1808.02448v1 2018-08-26,Realization of continuously electron doping in bulk iron selenides and identification of a new superconducting zone,"It is known that iron selenide superconductors exhibit unique characteristics distinct from iron pnicitides, especially in the electron-doped region. However, acomprehensive study of continuous carrier doping ang the corresponding crystal structures of FeSe is still lacking, mainly due to the difficulties in controlling the carrier density in bulk materials. Here, we report the successful synthesis of a new family of bulk Lix(C3H10N2)0.37FeSe, which features a continue superconducting dome harboring Lifshitz transition within the wide range of 0.06~0.68. We demonstrate that with electron-doped, the anion height of FeSe layers deviates lineraly away from the optimized values of pnictides and pressurized FeSe. This feature leads to anew superconducting zone with unique doping dependence of the electronic structures and strong orbital-selective electronic correlation. Optimal superconductivity is achieved when the Fe 3d t2g orbitals have almost the same intermediate electronic correlation strength, with moderate mass enhancement between 3~4 in the two separate superconducting zone. Our result shed light on archieving unified mechanism of superconductivity in iron-based materials.",1808.08501v1 2018-09-13,Dendritic Oxide Growth in Zero-Valent Iron Nanofilms Revealed by Atom Probe Tomography,"Atom probe tomography (APT) analysis of chemically pure nanofilms of zero-valent iron (Fe(0), or ZVI) and their thermal oxide nano-overlayers reveals the presence of dendritic iron oxide features that extend from the oxide nano-overlayer surface into the ZVI bulk. The dendrites are observed by APT to be in the 5 nm x 10 nm size range and form quickly under natural atmospheric conditions. Their growth into the ZVI lalyer is, within the limit of our three-month long study, self-limiting (i.e. their initial growth appears to quickly discontinue). The atomistic views presented here shed first light on the atmospheric corrosion process of Fe(0)-bearing engineered nanostructures and their surfaces in the limit of low bulk impurities. Possible roles of the newly identified oxidized iron dendrites are also discussed in the context of passivation processes limiting technological applications of Fe(0).",1809.04909v2 2018-10-28,A mathematical and experimental study on iron rings formation in porous stones,"In this interdisciplinary paper, we study the formation of iron precipitates - the so-called Liesegang rings - in Lecce stones in contact with iron source. These phenomena are responsible of exterior damages of lapideous artifacts, but also in the weakening of their structure. They originate in presence of water, determining the flow of carbonate compunds mixing with the iron ions and then, after a sequence of reactions and precipitation, leading to the formation of Liesegang rings. In order to model these phenomena observed in situ and in laboratory experiments, we propose a modification of the classical Keller-Rubinow model and show the results obtained with some numerical simulations, in comparison with the experimental tests. Our model is of interest for a better understanding of damage processes in monumental stones.",1810.11825v1 2019-01-10,A topology optimized switchable permanent magnet system,"The design of a magnetic field source that can switch from a high field to a low field configuration by rotation by $90^\circ$ of a set of iron pieces is investigated using topology optimization. A Halbach cylinder is considered as the magnetic field source and iron inserts are placed in the air gap of the Halbach cylinder. The ideal shape of these iron inserts is determined as function of the field generated by the Halbach cylinder and as function of the size of the iron segments. The topology optimized structures are parabolic shaped pieces and have a difference in flux density between the high and low positions that is on average 1.29 times higher than optimized regular pole pieces. The maximum increase is a factor of 2.08 times higher than the regular pole pieces.",1901.03110v1 2019-01-10,Topological Vortex Phase Transitions in Iron-Based Superconductors,"We study topological vortex phases in iron-based superconductors. Besides the previously known vortex end Majorana zero modes (MZMs) phase stemming from the existence of a three dimensional (3D) strong topological insulator state, we show that there is another topologically nontrivial phase as iron-based superconductors can be doped superconducting 3D weak topological insulators (WTIs). The vortex bound states in a superconducting 3D WTI exhibit two different types of quantum states, a robust nodal superconducting phase with pairs of bulk MZMs and a full-gap topologically nontrivial superconducting phase which has single vortex end MZM in a certain range of doping level. Moreover, we predict and summarize various topological phases in iron-based superconductors, and find that carrier doping and interlayer coupling can drive systems to have phase transitions between these different topological phases.",1901.03120v1 2019-01-28,Surface passivation by graphene in the lubrication of iron: A comparison with bronze,"It has been recently reported that graphene is able to significantly reduce the friction coefficient of steel-on-steel sliding contacts. The microscopic origin of this behavior has been attributed to the mechanical action of load carrying capacity. However, a recent work highlighted the importance of the chemical action of graphene. According to this work graphene reduces the adhesion of iron interfaces by reducing the surface energy thanks to a passivation effect. The aim of the present work is to clarify the still debated lubricating behavior of graphene flakes. We perform pin-on-disc experiments using liquid dispersed graphene solution as a lubricant. Two different materials, pure iron and bronze are tested against 100Cr6 steel. Raman spectroscopy is used to analyze the surfaces after the friction tests. The results of these tests prove that graphene flakes have a beneficial effect on the friction coefficient. At the same time they show a tendency of graphene to passivate the native iron surfaces that are exposed during sliding as a consequence of wear.",1901.09616v1 2019-03-19,First performance test of 30 mm iron-based superconductor single pancake coil under 24 T background field,"The iron-based superconductor (IBS) single pancake coil (SPC) with 30 mm inner diameter was firstly fabricated and tested under 24 T background field. This SPC was successfully made using the 7-filamentary Ba1-xKxFe2As2 (Ba122) tape by wind-and-react method. This IBS coil show the highest Ic value at magnetic field reported so far. For example, the transport critical current of this Ba122 SPC achieved 35 A at 4.2 K and 10 T, which is about half of that of short sample. This indicates that the non-insulation winding process together with the stainless-steel tape is suitable to the iron-based superconductor. Even more encouraging is the fact that the Ic of this SPC is still as high as 26 A under 24 T background field, which is still about 40% of that at zero external magnetic field. These results clearly demonstrate that the iron-based superconductors are very promising for high-field magnet applications.",1903.07960v1 2019-03-29,Nematic and Antiferromagnetic Quantum Criticality in a Multi-Orbital Hubbard Model for Iron Pnictides,"The extent to which quantum criticality drives the physics of iron pnictides is a central question in the field. Earlier theoretical considerations were based on an effective field theory, and the proposed realization in P-doped iron arsenides has received extensive experimental evidence. To connect the quantum critical behavior with the underlying electronic physics, it is important to analyze it within microscopic models. Here, we do so for a multi-orbital model containing both Hubbard and Hund's interactions, by a variational Monte Carlo method based on Jastrow-Slater wave functions that allow for a non-perturbative treatment of electron correlations. We find strong evidence for the existence of a unique quantum critical point, where both nematic and $(\pi,0)$ antiferromagnetic orders develop together, in the bad-metal regime of the phase diagram. Implications of our results for the iron-based superconductivity are discussed.",1903.12625v1 2019-04-08,High-energy spin fluctuation in low-$T_{\rm c}$ iron-based superconductor LaFePO$_{0.9}$,"Spin fluctuations are widely believed to play an important role in the superconducting mechanisms of unconventional high-temperature superconductors. Spin fluctuations have been observed in iron-based superconductors as well. However, in some iron-based superconductors such as LaFePO$_{0.9}$, they have not been observed by inelastic neutron scattering (INS). LaFePO$_{0.9}$ is an iron-based superconductor with a low superconducting transition temperature ($T_{\rm c}$= 5 K), where line nodes are observed in the superconducting gap function. The line-node symmetry typically originates from sign reversal of the order parameter in spin-fluctuation-mediated superconductivity. This contradiction has been a long-standing mystery of this superconductor. Herein, spin fluctuations were found at high energies such as 30$-$50 meV with comparable intensities to an optimally doped LaFeAs(O,F). Based on this finding, the line-node symmetry can be explained naturally as spin-fluctuation-mediated superconductivity.",1904.03854v1 2019-06-04,Pairing symmetry and topological surface state in iron-chalcogenide superconductors,"The symmetries of superconducting gap functions remain an important question of iron-based superconductivity. Motivated by the recent angle-resolved photoemission spectroscopic measurements on iron-chalcogenide superconductors, we investigate the influence of pairing symmetries on the topological surface state. If the surface Dirac cone becomes gapped in the superconducting phase, it implies magnetization induced from time-reversal symmetry breaking pairing via spin-orbit coupling. Based on the crystalline symmetry constraints on the Ginzburg-Landau free energy, the gap function symmetries are among the possibilities of $A_{1g(u)}\pm iA_{2g(u)}$, $B_{1g(u)}\pm iB_{2g(u)}$, or, $E_{g(u)}\pm i E_{g(u)}$. This time-reversal symmetry breaking effect can exist in the normal state very close to $T_c$ with the relative phase between two gap functions locked at $\pm \frac{\pi}{2}$. The coupling between magnetization and superconducting gap functions is calculated based on a three-orbital model for the band structure of iron-chalcogenides. This study provides the connection between the gap function symmetries and topological properties of the surface state.",1906.01754v3 2019-06-20,Effects of spin-orbit coupling on the neutron spin resonance in iron-based superconductors,"The so-called neutron spin resonance consists of a prominent enhancement of the magnetic response at a particular energy and momentum transfer upon entering the superconducting state of unconventional superconductors. In the case of iron-based superconductors, the neutron resonance has been extensively studied experimentally, and a peculiar spin-space anisotropy has been identified by polarized inelastic neutron scattering experiments. Here we perform a theoretical study of the energy- and spin-resolved magnetic susceptibility in the superconducting state with $ s_{+-} $-wave order parameter, relevant to iron-pnictide and iron-chalcogenide superconductors. Our model is based on a realistic bandstructure including spin-orbit coupling with electronic Hubbard-Hund interactions included at the RPA level. Spin-orbit coupling is taken into account both in the generation of spin-fluctuation mediated pairing, as well as the numerical computation of the spin susceptibility in the superconducting state. We find that spin-orbit coupling and superconductivity in conjunction can reproduce the salient experimentally observed features of the magnetic anisotropy of the neutron resonance. This includes the possibility of a double resonance, the tendency for a $c$-axis polarized resonance, and the existence of enhanced magnetic anisotropy upon entering the superconducting phase.",1906.08566v1 2019-08-26,"New thermodynamic constraints on internal, thermal and magnetic states of terrestrial-like Super-Earths","Ascertaining rocky exoplanets dynamic evolution requires better understanding of key internal thermophysical processes that shaped their geological surfaces, heat fluxes, volatiles and atmospheric content. New high-pressure experiments on iron and silicates compressible, melting and transport properties are providing new constraints that demand reassessments of super-Earths thermal and magnetic evolution models. We examine the interior structure, temperature distribution, thermal states and dynamo action of these planets with masses ranging from 1-10 ME. We show that the shallow adiabaticity of iron-alloys and perovskite or stishovite silicates compared to their liquidus at high pressure would allow for deep basal magma oceans, and frozen iron cores in planets larger than 4 ME. The presence and partitioning of MgO may alter this scenario. For the more massive planets, the dramatic reduction in liquid silicates viscosity should ensure a vigorous convection in the lower mantle, while the rise of iron thermal conductivity under high pressures, is shown to keep the internal cores of planets more massive than 2.5 ME subadiabatic and non-convicting. This will preclude the dynamo action in the more massive super-Earths (SE). Our results could allow a new mineral physics centered classification of terrestrial-like superEarths.",1908.09871v1 2019-11-03,Interpreting Verbal Irony: Linguistic Strategies and the Connection to the Type of Semantic Incongruity,"Human communication often involves the use of verbal irony or sarcasm, where the speakers usually mean the opposite of what they say. To better understand how verbal irony is expressed by the speaker and interpreted by the hearer we conduct a crowdsourcing task: given an utterance expressing verbal irony, users are asked to verbalize their interpretation of the speaker's ironic message. We propose a typology of linguistic strategies for verbal irony interpretation and link it to various theoretical linguistic frameworks. We design computational models to capture these strategies and present empirical studies aimed to answer three questions: (1) what is the distribution of linguistic strategies used by hearers to interpret ironic messages?; (2) do hearers adopt similar strategies for interpreting the speaker's ironic intent?; and (3) does the type of semantic incongruity in the ironic message (explicit vs. implicit) influence the choice of interpretation strategies by the hearers?",1911.00891v3 2020-03-27,Phonon dispersions throughout the iron spin crossover in ferropericlase,"Ferropericlase (Fp), (Mg$_\mathrm{1-x}$Fe$_\mathrm{x}$)O, is the second most abundant phase in the Earths lower mantle. At relevant pressure-temperature conditions, iron in Fp undergoes a high spin (HS), S=2, to low spin (LS), S=0, state change. The nature of this phenomenon is quite well understood now, but there are still basic questions regarding the structural stability and the existence of soft phonon modes during this iron state change. General theories exist to explain the volume reduction, the significant thermo-elastic anomalies, and the broad nature of this HS-LS crossover. These theories make extensive use of the quasi-harmonic approximation (QHA). Therefore, dynamical and structural stability is essential to their validity. Here, we investigate the vibrational spectrum of Fp throughout this spin-crossover using $\textit{ab initio}$ DFT+Usc calculations. We address vibrational modes associated with isolated and (2nd) nearest neighbor iron ions undergoing the HS-LS state change. As expected, acoustic modes of this solid solution are resilient while optical modes are the most affected. We show that there are no soft phonon modes across this HS-LS crossover, and Fp is dynamically stable at all relevant pressures.",2003.12348v1 2020-06-11,Embracing defects and disorder in magnetic nanoparticles,"Iron oxide nanoparticles have tremendous scientific and technological potential in a broad range of technologies, from energy applications to biomedicine. To improve their performance, single-crystalline and defect-free nanoparticles have thus far been aspired. However, in several recent studies defect-rich nanoparticles outperform their defect-free counterparts in magnetic hyperthermia and magnetic particle imaging. Here, an overview on the state-of-the-art of design and characterization of defects and resulting spin disorder in magnetic nanoparticles is presented with a focus on iron oxide nanoparticles. The beneficial impact of defects and disorder on intracellular magnetic hyperthermia performance of magnetic nanoparticles for drug delivery and cancer therapy is emphasized. Defect-engineering in iron oxide nanoparticles emerges to become an alternative approach to tailor their magnetic properties for biomedicine, as it is already common practice in established systems such as semiconductors and emerging fields including perovskite solar cells. Finally, perspectives and thoughts are given on how to deliberately induce defects in iron oxide nanoparticles and their potential implications for magnetic tracers to monitor cell therapy and immunotherapy by magnetic particle imaging.",2006.06474v1 2020-11-20,An Investigation of Commercial Iron Oxide Nanoparticles: Advanced Structural and Magnetic Properties Characterization,"Magnetic nanoparticles (MNPs) have been extensively used as tiny heating sources in magnetic hyperthermia therapy, contrast agents in magnetic resonance imaging (MRI), tracers in magnetic particle imaging (MPI), carriers for drug/gene delivery, etc. There have emerged many magnetic nanoparticle/microbeads suppliers since the last decade, such as Ocean NanoTech, Nanoprobes, US Research Nanomaterials, Miltenyi Biotec, micromod Partikeltechnologie GmbH, and nanoComposix, etc. In this paper, we report the physical and magnetic characterizations on iron oxide nanoparticle products from Ocean NanoTech. Standard characterization tools such as Vibrating-Sample Magnetometer (VSM), X-Ray Diffraction (XRD), Dynamic Light Scattering (DLS), Transmission Electron Microscopy (TEM), and Zeta Potential Analyzer are used to provide magnetic nanoparticle customers and researchers with an overview of these iron oxide nanoparticle products. In addition, the dynamic magnetic responses of these iron oxide nanoparticles in aqueous solutions are investigated under low and high frequency alternating magnetic fields, giving a standardized operating procedure for characterizing the MNPs from Ocean NanoTech, thereby yielding the best of magnetic nanoparticles for different applications.",2011.10215v1 2020-11-23,A Learning-based Optimization Algorithm:Image Registration Optimizer Network,"Remote sensing image registration is valuable for image-based navigation system despite posing many challenges. As the search space of registration is usually non-convex, the optimization algorithm, which aims to search the best transformation parameters, is a challenging step. Conventional optimization algorithms can hardly reconcile the contradiction of simultaneous rapid convergence and the global optimization. In this paper, a novel learning-based optimization algorithm named Image Registration Optimizer Network (IRON) is proposed, which can predict the global optimum after single iteration. The IRON is trained by a 3D tensor (9x9x9), which consists of similar metric values. The elements of the 3D tensor correspond to the 9x9x9 neighbors of the initial parameters in the search space. Then, the tensor's label is a vector that points to the global optimal parameters from the initial parameters. Because of the special architecture, the IRON could predict the global optimum directly for any initialization. The experimental results demonstrate that the proposed algorithm performs better than other classical optimization algorithms as it has higher accuracy, lower root of mean square error (RMSE), and more efficiency. Our IRON codes are available for further study.https://www.github.com/jaxwangkd04/IRON",2011.11365v1 2021-02-01,Confirmation of Asymmetric Iron Absorption in WASP-76b with HARPS,"Hot Jupiters are predicted to have hot, clear daysides and cooler, cloudy nightsides. Recently, an asymmetric signature of iron absorption has been resolved in the transmission spectrum of WASP-76b using ESPRESSO on ESO's Very large Telescope. This feature is interpreted as being due to condensation of iron on the nightside, resulting in a different absorption signature from the evening than from the morning limb of the planet. It represents the first time that a chemical gradient has been observed across the surface of a single exoplanet. In this work, we confirm the presence of the asymmetric iron feature using archival HARPS data of four transits. The detection shows that such features can also be resolved by observing multiple transits on smaller telescopes. By increasing the number of planets where these condensation features are detected, we can make chemical comparisons between exoplanets and map condensation across a range of parameters for the first time.",2102.01095v1 2021-03-07,IRON: Invariant-based Highly Robust Point Cloud Registration,"In this paper, we present IRON (Invariant-based global Robust estimation and OptimizatioN), a non-minimal and highly robust solution for point cloud registration with a great number of outliers among the correspondences. To realize this, we decouple the registration problem into the estimation of scale, rotation and translation, respectively. Our first contribution is to propose RANSIC (RANdom Samples with Invariant Compatibility), which employs the invariant compatibility to seek inliers from random samples and robustly estimates the scale between two sets of point clouds in the meantime. Once the scale is estimated, our second contribution is to relax the non-convex global registration problem into a convex Semi-Definite Program (SDP) in a certifiable way using Sum-of-Squares (SOS) Relaxation and show that the relaxation is tight. For robust estimation, we further propose RT-GNC (Rough Trimming and Graduated Non-Convexity), a global outlier rejection heuristic having better robustness and time-efficiency than traditional GNC, as our third contribution. With these contributions, we can render our registration algorithm, IRON. Through experiments over real datasets, we show that IRON is efficient, highly accurate and robust against as many as 99% outliers whether the scale is known or unknown, outperforming the existing state-of-the-art algorithms.",2103.04357v2 2021-03-11,Flatband-Induced Itinerant Ferromagnetism in RbCo$_2$Se$_2$,"$A$Co$_2$Se$_2$ ($A$=K,Rb,Cs) is a homologue of the iron-based superconductor, $A$Fe$_2$Se$_2$. From a comprehensive study of RbCo$_2$Se$_2$ via measurements of magnetization, transport, neutron diffraction, angle-resolved photoemission spectroscopy, and first-principle calculations, we identify a ferromagnetic order accompanied by an orbital-dependent spin-splitting of the electronic dispersions. Furthermore, we identify the ordered moment to be dominated by a $d_{x^2-y^2}$ flatband near the Fermi level, which exhibits the largest spin splitting across the ferromagnetic transition, suggesting an itinerant origin of the ferromagnetism. In the broader context of the iron-based superconductors, we find this $d_{x^2-y^2}$ flatband to be a common feature in the band structures of both iron-chalcogenides and iron-pnictides, accessible via heavy electron doping.",2103.06528v1 2021-04-20,Bulk superconductivity in FeTe$_{1-x}$Se$_{x}$ via physicochemical pumping of excess iron,"The iron-based superconductor FeTe$_{1-x}$Se$_{x}$ has attracted considerable attention as a candidate topological superconductor owing to a unique combination of topological surface states and bulk high-temperature superconductivity. The superconducting properties of as-grown single crystals, however, are highly variable and synthesis dependent due to excess interstitial iron impurities incorporated during growth. Here we report a novel physicochemical process for pumping this interstitial iron out of the FeTe$_{1-x}$Se$_{x}$ matrix and achieving bulk superconductivity. Our method should have significant value for the synthesis of high-quality single crystals of FeTe$_{1-x}$Se$_{x}$ with large superconducting volume fractions.",2104.10145v1 2021-05-26,Prenatal stress perturbs fetal iron homeostasis in a sex-specific manner,"What is the influence of chronic maternal prenatal stress (PS) on fetal iron homeostasis? In a prospective case-control study in 164 pregnant women, we show that cord blood transferrin saturation is lower in male stressed neonates. The total effect of PS exposure on fetal ferritin revealed a decrease of 15.4% compared with controls. Electrocardiogram-based Fetal Stress Index (FSI) identified affected fetuses non-invasively during the third trimester of gestation. FSI-based timely detection of fetuses affected by PS can support early individualized iron supplementation and neurodevelopmental follow-up to prevent long-term sequelae due to PS-exacerbated impairment of the iron homeostasis.",2105.12809v3 2021-06-02,Effective exchange interaction for terahertz spin waves in iron layers,"The exchange stiffness is a central material parameter of all ferromagnetic materials. Its value controls the Curie temperature as well as the dynamic properties of spin waves to a large extend. Using ultrashort spin current pulses we excite perpendicular standing spin waves (PSSW) in ultrathin epitaxial iron layers at frequencies of up to 2.4 THz. Our analysis shows that for the PSSWs the observed exchange stiffness of iron is about 20% smaller compared to the established iron bulk value. In addition, we find an interface-related reduction of the effective exchange stiffness for layers with the thickness below 10 nm. To understand and discuss the possible mechanisms of the exchange stiffness reduction we develop an analytical 1D-model. In doing so we find that the interface induced reduction of the exchange stiffness is mode-dependent.",2106.01066v1 2021-06-08,Topological Superconductivity in an s-wave Superconductor and Its Implication to Iron-based Superconductors,"In the presence of both space and time reversal symmetries, an s-wave A1g superconducting state is usually topologically trivial. Here we demonstrate that an exception can take place in a type of nonsymmorphic lattice structures. We specify the demonstration in a system with a centrosymmetric space group P4/nmm, the symmetry group that governs iron-based superconductors, by showing the existence of a second-order topological state protected by a mirror symmetry. The topological superconductivity is featured by 2Z degenerate Dirac cones on the (1,0) edge, and Z pairs of Majorana modes at the intersection between the (1,1) and (1,-1) edges. The topological invariance and Fermi surface criterion for the topological state are provided. Moreover, we point out that the previously proposed s-wave state in iron-based superconductors, which features a sign-changed superconducting order parameter between two electron pockets, is such a topological state. Thus, these results not only open a new route to pursue topological superconductivity, but also establish a measurable quantity to settle one long-lasting debate on the pairing nature of iron-based superconductors.",2106.04200v1 2021-08-10,Metallic nature and site-selective magnetic collapse in iron oxide Fe4O5 at the extreme conditions of Earth's deep interior,"Properties of iron oxides at the extreme conditions are of essential importance in condensed matter physics and Geophysics. The recent discovery of a new type of iron oxide, Fe4O5, at high pressure and high temperature of Earth's deep interior attracts great interests. In this paper, we report the electronic structure and the magnetic properties of Fe4O5 predicted by the density functional theory plus dynamic mean field theory (DFT+DMFT) approach. We find that Fe4O5 stays metallic from ambient pressure to high pressure. The magnetic moments of iron atoms at the three different crystallographic positions of Fe4O5 undergo position-dependent collapse as being compressed. Such site-selective magnetic moment collapse originates from the shift of energy levels and the consequent charge transfer among the Fe-3d orbits under compression.",2108.04477v1 2021-11-30,Early differentiation of magmatic iron meteorite parent bodies from Mn-Cr chronometry,"Magmatic iron meteorite groups such as IIAB, IIIAB and IVA, represent the largest sampling of extraterrestrial core material from the earliest accreted distinct planetary bodies in the solar system. Chromium isotope compositions of chromite/daubreelite from seven samples, translated into 53Cr/52Cr model ages, provide robust time information on planetary core formation. These ages range within 1.5 Ma after formation of calcium-aluminium-rich inclusions (CAIs) and define the time of metal core formation in the respective parent bodies, assuming metal-silicate separation was an instantaneous event that induced strong chemical fractionation of Mn from the more siderophile Cr. The early core formation ages support accretion and differentiation of the magmatic iron meteorite parent bodies to have occurred prior to the chondrule formation interval. The calibration of Mn-Cr ages with established Hf-W ages of samples from the same magmatic iron meteorite groups constrains the initial E53Cr of the solar system to -0.30, and thus lower than previously estimated.",2111.15291v1 2022-08-18,"Role of strain on the stability of B, C, N, and O in Iron","The preference for the occupation of solute atoms like B, C, N, and O at various sites in iron is generally explained by the size of the solute and the volume available for the solute atoms to occupy. Such an explanation based on the size of solute atoms and available space at the occupation site assumes that distortion alone dictates the stability of solute atoms. Using first-principles density functional theory (DFT), we separately calculate the distortion energy (DE) and electronic binding energy (EBE) of solute atoms in iron. We show that electronic binding dictates the relative stability of O rather than distortion. In contrast, the relative stability of B, C, and N is dictated by the distortion it exerts on iron atoms. Contribution to the relative stability of B atoms is dictated mostly by distortion. It suggests that B could occupy a large volume region like grain boundaries. The same agrees with experiments indicating B segregates at grain boundaries and planar defects. Such conclusions could not have been drawn from the formation energy calculation, which shows that B is stable at the substitution site.",2208.08680v1 2022-11-09,Quantitative Susceptibility Mapping in Cognitive Decline: A Review of Technical Aspects and Applications,"In the human brain, essential iron molecules for proper neurological functioning exist in transferrin (tf) and ferritin (Fe3) forms. However, its unusual increment manifests iron overload, which reacts with hydrogen peroxide. This reaction will generate hydroxyl radicals, and irons higher oxidation states. Further, this reaction causes tissue damage or cognitive decline in the brain and also leads to neurodegenerative diseases. The susceptibility difference due to iron overload within the volume of interest (VOI) responsible for field perturbation of MRI and can benefit in estimating the neural disorder. The quantitative susceptibility mapping (QSM) technique can estimate susceptibility alteration and assist in quantifying the local tissue susceptibility differences. It has attracted many researchers and clinicians to diagnose and detect neural disorders such as Parkinsons, Alzheimers, Multiple Sclerosis, and aging. The paper presents a systematic review illustrating QSM fundamentals and its processing steps, including phase unwrapping, background field removal, and susceptibility inversion. Using QSM, the present work delivers novel predictive biomarkers for various neural disorders. It can strengthen new researchers fundamental knowledge and provides insight into its applicability for cognitive decline disclosure. The paper discusses the future scope of QSM processing stages and their applications in identifying new biomarkers for neural disorders.",2211.04764v1 2022-11-15,The Dissipation of the Solar Nebula Constrained by Impacts and Core Cooling in Planetesimals,"Rapid cooling of planetesimal cores has been inferred for several iron meteorite parent bodies based on metallographic cooling rates, and linked to the loss of their insulating mantles during impacts. However, the timing of these disruptive events is poorly constrained. Here, we used the short-lived 107Pd / 107Ag decay system to date rapid core cooling by determining Pd-Ag ages for iron meteorites. We show closure times for the iron meteorites equate to cooling in the timeframe ~7.8 to 11.7 Myr after CAI, and indicate that an energetic inner Solar System persisted at this time. This likely results from the dissipation of gas in the protoplanetary disk, after which the damping effect of gas drag ceases. An early giant planet instability between 5 and 14 Myr after CAI could have reinforced this effect. This correlates well with the timing of impacts recorded by the Pd Ag system for iron meteorites.",2211.08306v1 2023-01-02,Enhance the Field Strength by Adding Soft Iron in the Hybrid Permanent magnet,"Permanent magnet has a small and compact structure, is especially suitable for a narrow space. With the aid of soft iron, the magnetic field can be increased much more and the field uniformity can be well controlled. Most Permanent magnets have a symmetry structure; the soft iron can be selected as the float magnet pole to keep its constant scalar potential, and take roles as media to collect the direct flux from the permanent blocks, then release indirect flux in magnet aperture and to the nearby return yoke. This paper presents the magnetic flux method to design and fabricate a hybrid permanent dipole by using axially and radially magnetized permanent blocks. A variable gradient permanent quadrupole and a variable gradient sextupole are designed as the extend design examples . They all consist of two nested hybrid permanent rings, where the iron poles are used to control the field quality, collect the magnetic flux from the outer ring, block the skew quadrupole and high order harmonics.",2301.00532v1 2023-05-22,Ion-selective scattering studied by the variable-energy electron irradiation of Ba$_{0.2}$K$_{0.8}$Fe$_2$As$_2$ superconductor,"Low-temperature variable-energy electron irradiation was used to induce non-magnetic disorder in a single crystal of hole-doped iron-based superconductor, Ba$_{1-x}$K$_x$Fe$_2$As$_2$, $x=$0.80. To avoid systematic errors, the beam energy was adjusted non-consequently for five values between 1.0 and 2.5 MeV, whence sample resistance was measured in-situ at 22 K. For all energies, the resistivity raises linearly with the irradiation fluence suggesting the creation of uncorrelated dilute point-like disorder (confirmed by simulations). The rate of the resistivity increase peaks at energies below 1.5 MeV. Comparison with calculated partial cross-sections points to the predominant creation of defects in the iron sublattice. Simultaneously, superconducting $T_c$, measured separately between the irradiation runs, is monotonically suppressed as expected since it depends on the total scattering rate, hence total cross-section, which is a monotonically increasing function of energy. Our work confirms experimentally an often-made assumption of the dominant role of the iron sub-lattice in iron-based superconductors.",2305.13217v1 2024-01-16,Detection of the neutral iron line from the supernova remnant W49B with Suzaku,"Recent studies of supernova remnants (SNRs) have revealed that some SNRs exhibit a neutral iron line emission at 6.4 keV. This line has been proposed to originate from the interaction of high-energy particles formed in the SNR shell with the surrounding cold matter. We searched for the neutral iron line emission in the SNR W49B. Significant detection of the 6.4 keV line is found in the northwest region, close to the molecular cloud interacting with the SNR shell. In addition, an excess emission at 8-9 keV, in which K_gamma, K_delta, and K_epsilon lines of He-like iron exist, is also significantly found in the region where the radio shell is not bright. We discuss the origin of the 6.4 keV line and the excess emission at 8-9 keV.",2401.08234v1 1999-07-26,First Constraints on Iron Abundance versus Reflection Fraction from the Seyfert~1 Galaxy MCG--6-30-15,"We report on a joint ASCA and RXTE observation spanning an $\sim$ 400~ks time interval of the bright Seyfert~1 galaxy MCG--6-30-15. The data clearly confirm the presence of a broad skewed iron line ($W_{K\alpha} \sim$ 266 eV) and Compton reflection continuum at higher energies reported in our previous paper. We also investigate whether the gravitational and Doppler effects that affect the iron line may also be manifest in the reflected continuum. The uniqueness of this data set is underlined by the extremely good statistics that we obtain from the approximately four million photons that make up the 2-20 keV RXTE PCA spectrum alone. This, coupled with the high energy coverage of HEXTE and the spectral resolution of ASCA in the iron line regime has allowed us to constrain the relationship between abundance and reflection fraction for the first time at the 99 per cent confidence level. The reflection fraction is entirely consistent with a flat disk, i.e. the cold material subtends $\rm 2 \pi$ sr at the source, to an accuracy of 20 per cent. Monte Carlo simulations show that the observed strong iron line intensity is explained by an overabundance of iron by a factor of $\sim$ 2 and an underabundance of the lower-Z elements by a similar factor. By considering non-standard abundances, a clear and consistent picture can be made in which both the iron line and reflection continuum come from the same material such as e.g. an accretion disk.",9907352v1 1999-12-01,On the lack of X-ray iron line reverberation in MCG-6-30-15: Implications for the black hole mass and accretion disk structure,"We use the method of Press, Rybicki & Hewitt (1992) to search for time lags and time leads between different energy bands of the RXTE data for MCG-6-30-15. We tailor our search in order to probe any reverberation signatures of the fluorescent iron Kalpha line that is thought to arise from the inner regions of the black hole accretion disk. In essence, an optimal reconstruction algorithm is applied to the continuum band (2-4keV) light curve which smoothes out noise and interpolates across the data gaps. The reconstructed continuum band light curve can then be folded through trial transfer functions in an attempt to find lags or leads between the continuum band and the iron line band (5-7keV). We find reduced fractional variability in the line band. The spectral analysis of Lee et al. (1999) reveals this to be due to a combination of an apparently constant iron line flux (at least on timescales of few x 10^4s), and flux correlated changes in the photon index. We also find no evidence for iron line reverberation and exclude reverberation delays in the range 0.5-50ksec. This extends the conclusions of Lee et al. and suggests that the iron line flux remains constant on timescales as short as 0.5ksec. The large black hole mass (>10^8Msun) naively suggested by the constancy of the iron line flux is rejected on other grounds. We suggest that the black hole in MCG-6-30-15 has a mass of M_BH~10^6-10^7Msun and that changes in the ionization state of the disk may produce the puzzling spectral variability. Finally, it is found that the 8-15keV band lags the 2-4keV band by 50-100s. This result is used to place constraints on the size and geometry of the Comptonizing medium responsible for the hard X-ray power-law in this AGN.",9912001v1 2003-10-29,The XMM-Newton Iron Line Profile of NGC 3783,"We report on observations of the iron K line in the nearby Seyfert 1 galaxy, NGC 3783, obtained in a long, 2 orbit (240 ks) XMM-Newton observation. The line profile obtained exhibits two strong narrow peaks at 6.4 keV and at 7.0 keV, with measured line equivalent widths of 120 and 35 eV respectively. The 6.4 keV emission is the K-alpha line from near neutral Fe, whilst the 7.0 keV feature probably originates from a blend of the neutral Fe K-beta line and the H-like line of Fe at 6.97 keV. The relatively narrow velocity width of the K-alpha line (<5000 km/s), its lack of response to the continuum emission on short timescales and the detection of a neutral Compton reflection component are all consistent with a distant origin in Compton-thick matter such as the putative molecular torus. A strong absorption line from highly ionized iron (at 6.67 keV) is detected in the time-averaged iron line profile, whilst the depth of the feature appears to vary with time, being strongest when the continuum flux is higher. The iron absorption line probably arises from the highest ionization component of the known warm absorber in NGC 3783, with an ionization of logxi=3 and column density of 5x10^{22}cm{-2} and may originate from within 0.1pc of the nucleus. A weak red-wing to the iron K line profile is also detected below 6.4 keV. However when the effect of the highly ionized warm absorber on the underlying continuum is taken into account, the requirement for a relativistic iron line component from the inner disk is reduced.",0310820v1 2006-09-25,Tracing the evolution in the iron content of the ICM,"We present a Chandra analysis of the X-ray spectra of 56 clusters of galaxies at z>0.3, which cover a temperature range 30.5. The emission weighted iron abundance is significantly higher (Z_{Fe}~0.4 Z_o) in the redshift range z~0.3-0.5, approaching the value measured locally in the inner 0.15 R_{vir} radii for a mix of cool-core and non cool-core clusters at 0.10.3, which cover a temperature range of 3>kT>15 keV. Our analysis is aimed at measuring the iron abundance in the ICM out to the highest redshift probed to date. We find that the emission-weighted iron abundance measured within (0.15-0.3)R_vir in clusters below 5 keV is, on average, a factor of ~2 higher than in hotter clusters, following Z(T)~0.88T^-(0.47)Z_o, which confirms the trend seen in local samples. We made use of combined spectral analysis performed over five redshift bins at 0.3>z>1.3 to estimate the average emission weighted iron abundance. We find a constant average iron abundance Z_Fe~0.25Z_o as a function of redshift, but only for clusters at z>0.5. The emission-weighted iron abundance is significantly higher (Z_Fe~0.4Z_o) in the redshift range z~0.3-0.5, approaching the value measured locally in the inner 0.15R_vir radii for a mix of cool-core and non cool-core clusters in the redshift range 0.10.3$, which cover a temperature range of $3> kT > 15$ keV. Our analysis is aimed at measuring the iron abundance in the ICM out to the highest redshift probed to date. We find that the emission-weighted iron abundance measured within $(0.15-0.3) R_{vir}$ in clusters below 5 keV is, on average, a factor of $\sim2$ higher than in hotter clusters, following $Z(T)\simeq 0.88 T^{-0.47} Z_\odot$, which confirms the trend seen in local samples. We made use of combined spectral analysis performed over five redshift bins at $0.3> z > 1.3$ to estimate the average emission weighted iron abundance. We find a constant average iron abundance $Z_{Fe}\simeq 0.25 Z_\odot$ as a function of redshift, but only for clusters at $z>0.5$. The emission-weighted iron abundance is significantly higher ($Z_{Fe}\simeq0.4 Z_\odot$) in the redshift range $z\simeq0.3-0.5$, approaching the value measured locally in the inner $0.15 R_{vir}$ radii for a mix of cool-core and non cool-core clusters in the redshift range $0.138,000) spectra. We did not impose the ionization equilibrium between neutral and singly-ionized iron lines. The effective temperatures and the surface gravities were estimated by fitting stellar isochrones in the V, B-V color-magnitude diagram. To measure the iron abundance of individual lines we applied the LTE spectrum synthesis fitting method using MARCS model atmospheres of appropriate metallicity. We found evidence of NLTE effects between neutral and singly-ionized iron abundances. Assuming that the FeII abundances are minimally affected by NLTE effects, we corrected the FeI stellar abundances using a linear fit between FeI and FeII stellar abundance determinations. We found that the Carina metallicity distribution based on the corrected FeI abundances (44 RGs) has a weighted mean metallicity of [Fe/H]=-1.80 and a weighted standard deviation of sigma=0.24 dex. The Carina metallicity distribution based on the FeII abundances (27 RGs) gives similar estimates ([Fe/H]=-1.72, sigma=0.24 dex). The current weighted mean metallicities are slightly more metal poor when compared with similar estimates available in the literature. Furthermore, if we restrict our analysis to stars with the most accurate iron abundances, ~20 FeI and at least three FeII measurements (15 stars), we found that the range in iron abundances covered by Carina RGs (~1 dex) agrees quite well with similar estimates based on high-resolution spectra.",1204.4612v2 2014-08-15,Protected Fe valence in quasi-two dimensional $α$-FeSi$_2$,"We report the first comprehensive study of the high temperature form ($\alpha$-phase) of iron disilicide. Measurements of the magnetic susceptibility, magnetization, heat capacity and resistivity were performed on well characterized single crystals. With a nominal iron $d^6$ configuration, and a quasi-two dimensional crystal structure that strongly resembles that of LiFeAs, $\alpha$-FeSi$_2$ is a potential candidate for unconventional superconductivity. Akin to LiFeAs, $\alpha$-FeSi$_2$ does not develop any magnetic order, and we confirm its metallic state down to the lowest temperatures ($T$=1.8 K). However, our experiments reveal that paramagnetism and electronic correlation effects in $\alpha$-FeSi$_2$ are considerably weaker than in the pnictides. Band theory calculations yield small Sommerfeld coefficients of the electronic specific heat $\gamma=C_e/T$ that are in excellent agreement with experiment. Additionally, realistic many-body calculations further corroborate that quasi-particle mass enhancements are only modest in $\alpha$-FeSi$_{2}$ . Remarkably, we find that the natural tendency to vacancy formation in the iron sublattice has little influence on the iron valence and the density of states at the Fermi level. Moreover, Mn doping does not significantly change the electronic state of the Fe ion. This suggests that the iron valence is protected against hole doping, and indeed the substitution of Co for Fe causes a rigid-band like response of the electronic properties. As a key difference from the pnictides, we identify the smaller inter-iron layer spacing, which causes the active orbitals near the Fermi level to be of a different symmetry in $\alpha$-FeSi$_2$. This change in orbital character might be responsible for the lack of superconductivity in this system, providing constraints on pairing theories in the iron based pnictides and chalcogenides.",1408.3606v2 2016-07-04,Origin of the Characteristic X-ray Spectral Variations of IRAS 13224$-$3809,"The Narrow-line Seyfert 1 galaxy (NLS1) IRAS 13224$-$3809 is known to exhibit significant X-ray spectral variation, a sharp spectral drop at $\sim$ 7 keV, strong soft excess emission, and a hint of iron L-edge feature, which is very similar to the NLS1 1H 0707$-$495. We have proposed the ""Variable Double Partial Covering (VDPC) model"" to explain the energy spectra and spectral variability of 1H 0707$-$495 (Mizumoto, Ebisawa and Sameshima 2014, PASJ, 66, 122). In this model, the observed flux/spectral variations below 10 keV within a $\sim$day are primarily caused by change of the partial covering fraction of patchy clouds composed by double absorption layers in the line of sight. In this paper, we apply the VDPC model to IRAS 13224$-$3809. Consequently, we have found that the VDPC model can explain the observed spectral variations of IRAS 13224$-$3809 in the 0.5$-$10 keV band. In particular, we can explain the observed Root Mean Square (RMS) spectra (energy dependence of the fractional flux variation) in the entire 0.5$-$10 keV band. In addition to the well-known significant drop in the iron K-band, we have found intriguing iron L-peaks in the RMS spectra when the iron L-edge is particularly deep. This feature, which is also found in 1H 0707$-$495, is naturally explained with the VDPC model, such that the RMS variations increase at the energies where optical depths of the partial absorbers are large. The absorbers have a larger optical depth at the iron L-edge than in the adjacent energy bands, thus a characteristic iron L-peak appears. On the other hand, just below the iron K-edge, the optical depth is the lowest and the RMS spectrum has a broad dip.",1607.00879v1 2017-08-05,Nematic Fluctuations in Iron-Oxychalcogenide Mott Insulators,"Nematic fluctuations occur in a wide range of physical systems from liquid crystals to biological molecules to solids such as exotic magnets, cuprates and iron-based high-$T_c$ superconductors. Nematic fluctuations are thought to be closely linked to the formation of Cooper-pairs in iron-based superconductors. It is unclear whether the anisotropy inherent in this nematicity arises from electronic spin or orbital degrees of freedom. We have studied the iron-based Mott insulators La$_{2}$O$_{2}$Fe$_{2}$O$M$$_{2}$ $M$ = (S, Se) which are structurally similar to the iron pnictide superconductors. They are also in close electronic phase diagram proximity to the iron pnictides. Nuclear magnetic resonance (NMR) revealed a critical slowing down of nematic fluctuations as observed by the spin-lattice relaxation rate ($1/T_1$). This is complemented by the observation of a change of electrical field gradient over a similar temperature range using M\""ossbauer spectroscopy. The neutron pair distribution function technique applied to the nuclear structure reveals the presence of local nematic $C_2$ fluctuations over a wide temperature range while neutron diffraction indicates that global $C_{4}$ symmetry is preserved. Theoretical modeling of a geometrically frustrated spin-$1$ Heisenberg model with biquadratic and single-ion anisotropic terms provides the interpretation of magnetic fluctuations in terms of hidden quadrupolar spin fluctuations. Nematicity is closely linked to geometrically frustrated magnetism, which emerges from orbital selectivity. The results highlight orbital order and spin fluctuations in the emergence of nematicity in Fe-based oxychalcogenides. The detection of nematic fluctuation within these Mott insulator expands the group of iron-based materials that show short-range symmetry-breaking.",1708.01693v4 2020-01-22,Superconductivity by Hidden Spin Fluctuations in Electron-Doped Iron Selenide,"Berg, Metlitski and Sachdev, Science 338, 1606 (2012), have shown that the exchange of hidden spin fluctuations by conduction electrons with two orbitals can result in high-temperature superconductivity in copper-oxide materials. We introduce a similar model for high-temperature iron-selenide superconductors that are electron doped. Conduction electrons carry the minimal 3d xz and 3d yz iron-atom orbitals. Low-energy hidden spin fluctuations at the checkerboard wavevector Q_AF result from nested Fermi surfaces at the center and at the corner of the unfolded (one-iron) Brillouin zone. Magnetic frustration from super-exchange interactions via the selenium atoms stabilize hidden spin fluctuations at Q_AF versus true spin fluctuations. At half filling, Eliashberg theory based purely on the exchange of hidden spin fluctuations reveals a Lifshitz transition to electron/hole Fermi surface pockets at the corner of the folded (two-iron) Brillouin zone, but with vanishing spectral weights. The underlying hidden spin-density wave groundstate is therefore a Mott insulator. Upon electron doping, Eliashberg theory finds that the spectral weights of the hole Fermi surface pockets remain vanishingly small, while the spectral weights of the larger electron Fermi surface pockets become appreciable. This prediction is therefore consistent with the observation of electron Fermi surface pockets alone in electron-doped iron selenide by angle-resolved photoemission spectroscopy (ARPES). Eliashberg theory also finds an instability to S+- superconductivity at electron doping, with isotropic Cooper pairs that alternate in sign between the visible electron Fermi surface pockets and the faint hole Fermi surface pockets. Comparison with the isotropic energy gaps observed in electron-doped iron selenide by ARPES and by scanning tunneling microscopy (STM) is consistent with short-range hidden magnetic order.",2001.07908v3 2020-04-25,Reconciliation of experiments and theory on transport properties of iron and the geodynamo,"The amount of heat transport from the core, which constrains the dynamics and thermal evolution of the region, depends on the transport properties of iron. Ohta et al.(2016) and Konopkova et al.(2016) measured electrical resistivity and thermal conductivity of iron, respectively, in laser-heated diamond anvil cells (DACs) at relevant Earth's core pressure-temperature (P-T) conditions, and obtained dramatically contradictory results. Here we measure the electrical resistivity of hcp-iron up to ~170 GPa and ~3,000 K using a four-probe van der Pauw method coupled with homogeneous flat-top laser-heating in a DAC. We also compute its electrical and thermal conductivity by first-principles methods including electron-phonon and electron-electron scattering. We find that the measured resistivity of hcp-iron increases almost linearly with increasing temperature, and is consistent with current first-principles computations. The proportionality coefficient between resistivity and thermal conductivity (the Lorenz number) in hcp-iron differs from the ideal value (2.44*10^-8 W Omega K^-2), so a non-ideal Lorenz number of ~(2.0-2.1)*10^-8 W Omega K^-2 is used to convert the experimental resistivity to the thermal conductivity of hcp-Fe at high P-T. The results constrain the resistivity and thermal conductivity of hcp-iron to ~80(5) u Omega cm and ~100(10) W/mK, respectively, at conditions near core-mantle boundary. Our results indicate an adiabatic heat flow of ~10(1) TW through the core-mantle boundary for a liquid Fe alloy outer core, supporting a present-day geodynamo driven by thermal convection through the core's secular cooling and by compositional convection through the latent heat and gravitational energy during the inner core's solidification.",2004.12035v1 2020-09-29,The iron record of asteroidal processes in carbonaceous chondrites,"The valence of iron has been used in terrestrial studies to trace the hydrolysis of primary silicate rocks. Here, we use a similar approach to characterize the secondary processes, namely thermal metamorphism and aqueous alteration, that have affected carbonaceous chondrites. X-ray absorption near-edge structure spectroscopy at the Fe-K- edge was performed on a series of 36 CM, 9 CR, 10 CV, and 2 CI chondrites. Among the four carbonaceous chondrites groups studied, a correlation between the iron oxidation index (IOI = [2 ((Fe2+) + 3(Fe3+))/FeTOT) and the hydrogen content is observed. However, within the CM group, for which a progressive alteration sequence has been defined, a conversion of Fe3+ to Fe2+ is observed with increasing degree of aqueous alteration. This reduction of iron can be explained by an evolution in the mineralogy of the secondary phases. In the case of the few CM chondrites that experienced some thermal metamorphism, in addition to aqueous alteration, a redox memory of the aqueous alteration is present: a significant fraction of 3+ 2+ 0 Fe is present, together with Fe and sometimes Fe. From our data set, the CR chondrites show a wider range of IOI from 1.5 to 2.5. In all considered CR chondrites, the three oxidation states of iron coexist. Even in the least-altered CR chondrites, the fraction of Fe3+ can be high (30% for MET 00426). This observation confirms that oxidized iron has been integrated during formation of fine-grained amorphous material in the matrix. Last, the IOI of CV chondrites does not reflect the reduced/oxidized classification based on metal and magnetite proportions, but is strongly correlated with petrographic types. The valence of iron in CV chondrites therefore appears to be most closely related to thermal history, rather than aqueous alteration, even if these processes can occur together .",2009.13950v2 2020-09-30,DEEPMIR: A DEEP neural network for differential detection of cerebral Microbleeds and IRon deposits in MRI,"Lobar cerebral microbleeds (CMBs) and localized non-hemorrhage iron deposits in the basal ganglia have been associated with brain aging, vascular disease and neurodegenerative disorders. Particularly, CMBs are small lesions and require multiple neuroimaging modalities for accurate detection. Quantitative susceptibility mapping (QSM) derived from in vivo magnetic resonance imaging (MRI) is necessary to differentiate between iron content and mineralization. We set out to develop a deep learning-based segmentation method suitable for segmenting both CMBs and iron deposits. We included a convenience sample of 24 participants from the MESA cohort and used T2-weighted images, susceptibility weighted imaging (SWI), and QSM to segment the two types of lesions. We developed a protocol for simultaneous manual annotation of CMBs and non-hemorrhage iron deposits in the basal ganglia. This manual annotation was then used to train a deep convolution neural network (CNN). Specifically, we adapted the U-Net model with a higher number of resolution layers to be able to detect small lesions such as CMBs from standard resolution MRI. We tested different combinations of the three modalities to determine the most informative data sources for the detection tasks. In the detection of CMBs using single class and multiclass models, we achieved an average sensitivity and precision of between 0.84-0.88 and 0.40-0.59, respectively. The same framework detected non-hemorrhage iron deposits with an average sensitivity and precision of about 0.75-0.81 and 0.62-0.75, respectively. Our results showed that deep learning could automate the detection of small vessel disease lesions and including multimodal MR data (particularly QSM) can improve the detection of CMB and non-hemorrhage iron deposits with sensitivity and precision that is compatible with use in large-scale research studies.",2010.00148v3 2022-01-31,Green steel at its crossroads: hybrid hydrogen-based reduction of iron ores,"Iron- and steelmaking cause ~7% of the global CO2 emissions, due to the use of carbon for the reduction of iron ores. Replacing carbon by hydrogen as the reductant offers a pathway to reduce emissions. However, production of hydrogen using renewable energy will remain a bottlenecks, because making the annual crude steel production of 1.8 billion tons sustainable requires a minimum amount of ~97 million tons of green hydrogen per year. Another fundamental aspect to make ironmaking sector more sustainable lies in an optimal utilization of green hydrogen and energy, thus reducing efforts for costly in-process hydrogen recycling. We therefore demonstrate here how the efficiency in hydrogen and energy consumption during iron ore reduction can be dramatically improved by the knowledge-based combination of two technologies: partially reducing the ore at low temperature via solid-state direct reduction (DR) to a kinetically defined degree, and subsequently melting and completely transforming it to iron under a reducing plasma (i.e. via hydrogen plasma reduction, HPR). Results suggest that an optimal transition point between these two technologies occurs where their efficiency in hydrogen utilization is equal. We found that the reduction of hematite through magnetite into wustite via DR is clean and efficient, but it gets sluggish and inefficient when iron forms at the outermost layers of the iron ore pellets. Conversely, HPR starts violent and unstable with arc delocalization, but proceeds smoothly and efficiently when processing semi-reduced oxides. We performed hybrid reduction experiments by partially reducing hematite pellets via DR at 700{\deg}C to 38% global reduction (using a standard thermogravimetry system) and subsequently transferring them to HPR, conducted with a gas mixture of Ar-10%H2 in an arc-melting furnace, to achieve conversion into liquid iron.",2201.13356v1 2022-03-09,Accounting for iron-related off-target binding effects of 18F-AV1451 PET in the evaluation of cognition and microstructure in APOE-e4+ MCI,"The pathology of Alzheimer's disease (AD) and mild cognitive impairment (MCI) is characterized by the presence of beta-amyloid extracellular plaques and neurofibrillary tangles containing hyper-phosphorylated tau. Individuals carrying the apolipoprotein E-e4 (APOE-e4) allele are at increased risk of cognitive decline and developing AD pathology. The development of positron emission tomography (PET) radioligands sensitive to tau neurofibrillary tangles, such as 18F-AV1451, has allowed for visualization and assessment of AD pathology in vivo. The radioligand used in 18F-AV1451 binds with iron in addition to tau neurofibrillary tangles. We employ multimodal neuroimaging analyses, combining iron-sensitive measures from MRI with 18F-AV1451 PET, to examine off-target binding effects in cohorts of 20 APOE-e4 negative, 20 APOE-e4 positive MCI, and 29 control participants. Increased tau pathology, after controlling for tissue susceptibility, was found in the temporal lobe and hippocampus of APOE-e4+ MCI participants as compared to APOE-e4 negative MCI and control participants. Tau pathology in the hippocampus was significantly related to memory, but only in APOE-e4+ participants. Correlations between hippocampal 18F-AV1451 PET uptake and cognitive correlations did not significantly differ when correcting for the influence of iron on 18F-AV1451 PET signal. However, controlling for susceptibility was found to influence correlations between tau-PET uptake and diffusion metrics and the change in this interaction may be due to the influence of iron on diffusivity. Taken together, these results suggest that iron does not need to be accounted for in group comparisons of tau-PET uptake or correlations between cognitive measures and tau-PET SUVR. However, iron should be taken into account in correlations between diffusion measures and tau-PET uptake.",2203.16444v1 2022-12-13,On the surface chemisorption of oxidizing fine iron particles: insights gained from molecular dynamics simulations,"Molecular dynamics (MD) simulations are performed to investigate the thermal and mass accommodation coefficients (TAC and MAC, respectively) for the combination of iron(-oxide) and air. The obtained values of TAC and MAC are then used in a point-particle Knudsen model to investigate the effect of chemisorption and the Knudsen transition regime on the combustion behavior of (fine) iron particles. The thermal accommodation for the interactions of $\mathrm{Fe}$ with $\mathrm{N_2}$ and $\mathrm{Fe_xO_y}$ with $\mathrm{O_2}$ is investigated for different surface temperatures, while the mass accommodation coefficient for iron(-oxide) with oxygen is investigated for different initial oxidation stages $Z_\mathrm{O}$, which represents the molar ratio of $\mathrm{O}/\left(\mathrm{O} + \mathrm{Fe}\right)$, and different surface temperatures. The MAC decreases fast from unity to 0.03 as $Z_\mathrm{O}$ increases from 0 to 0.5 and then diminishes as $Z_\mathrm{O}$ further increases to 0.57. By incorporating the MD-informed accommodation coefficients into the single iron particle combustion model,a new temperature evolution for single iron particles is observed compared to results obtained with previously developed continuum models. Specifically, results of the present simulations show that the oxidation process continues after the particle reaching the peak temperature, while previous models predicting that the maximum temperature was attained when the particle is oxidized to $Z_\mathrm{O} = 0.5$. Since the rate of oxidation slows down as the MAC decreases with an increasing oxidation stage, the rate of heat loss exceeds the rate of heat release upon reaching the maximum temperature, while the particle is not yet oxidized to $Z_\mathrm{O} = 0.5$. Finally, the effect of transition-regime heat and mass transfer on the combustion behavior of fine iron particles is investigated and discussed.",2212.06432v2 1995-06-20,On the Bilayer Coupling in the Yttrium-Barium Family of High Temperature Superconductors,"We present and solve a model for the susceptibility of two CuO2 planes coupled by an interplane coupling J_perp and use the results to analyze a recent ""cross-relaxation"" NMR experiment on Y2Ba4Cu7O15. We deduce that in this material the product of J_perp and the maximum value of the in-plane susceptibility chi_max varies from approximately 0.2 at T = 200 K to 0.4 at T = 120 K and that this implies the existence of a temperature dependent in-plane spin correlation length. Using estimates of chi_max from the literature we find 5 meV < J_perp < 20 meV. We discuss the relation of the NMR results to neutron scattering results which have been claimed to imply that in YBa2Cu3O_{6+x} the two planes of a bilayer are perfectly anticorrelated. We also propose that the recently observed 41 meV excitation in YBa2Cu3O7 is an exciton pulled down below the superconducting gap by J_perp.",9506088v1 1996-06-04,On the Bilayer Coupling in the Yttrium-Barium Family of High Temperature Superconductors,"We derive the expressions needed to interpret experiments relating to interplane magnetic coupling in YBa$_{2}$Cu$_{3}$O$_{6+x}$ and related materials, and use the results to interpret measurements of the optical magnon energy in YBa_{2}Cu_{3}O_{6.2} and of the NMR ``cross-relaxation"" rate in Y_2Ba_{4}Cu_{7}O_{15}. We estimate $J_{\perp}\sim 14$ meV in both materials, and $\chi_{max}/\mu^2_{B} \sim 100$ {states}/{eV}-Cu in Y_2Ba_4Cu_7O_{15} at T=100K. We show that there is at present no obvious contradiction between the results of a widely-used analysis of NMR experiments and the results of neutron scattering experiments in the Y-Ba system. We argue that the 41 meV excitation observed in superconducting YBa_{2}Cu_{3}O_{7} is a collective mode pulled down below the superconducting gap by interactions, and that the observed antisymmetry under interchange of planes follows from the non-negligible value of $J_{\perp}$.",9606008v2 1997-01-29,Local structure studies of the underdoped-overdoped transition in YBa_2Cu_3O_x. Measurement of the yttrium y-ray absorption fine structure,"We have measured the extended x-ray absorption-fine-structure (EXAFS) at the Y-K edge of YBa_2Cu_3O_x for x=6.801, 6.947, 6.968, 6.984 at T=20-300 K. Across the underdoped-overdoped transition the Y-Cu2 pairs exhibit harmonic vibrations which freeze out in the superconducting phase, whereas the Y-O2,3 pairs exhibit strong anharmonicities with a singularity at T_c. In the underdoped regime the average spacing O2,3-Cu2 increases with x due to displacements of Cu2 towards Ba, but the average position of O2,3 along c is almost unaffected. Optimum doping is a notable point in the x-T phase diagram, also concerning the lattice degrees of freedom. Here the O2,3-Cu2 spacing (buckling) is largest, and in the superconducting phase the Cu2 position along the c-axis is independent on temperature. In the overdoped regime increasing x displaces the Cu2 along c further towards Ba, but the O2,3 layer starts to shift in the same direction, thus decreasing the O2,3-Cu2 spacing.",9701208v1 2000-10-06,Magnetic relaxation phenomena and cluster glass properties of La{0.7-x}Y{x}Ca{0.3}MnO{3} manganites,"The dynamic magnetic properties of the distorted perovskite system La{0.7-x}Y{x}Ca{0.3}MnO{3} (0 <= x <= 0.15) have been investigated by ac-susceptibility and dc magnetization measurements, with emphasis on relaxation and aging studies. They evidence for x >= 0.10 the appearance of a metallic cluster glass phase, that develops just below the ferromagnetic transition temperature. The clusters grow with decreasing temperature down to a temperature T(f0) at which they freeze due to severe intercluster frustration. The formation of these clusters is explained by the presence of yttrium induced local structural distortions that create localized spin disorder in a magnetic lattice where double-exchange ferromagnetism is dominant.",0010110v2 2001-04-22,Nonadiabatiic superconductivity in MgB2 and cuprates,"The Fermi energy, Ef of newly discovered high-Tc superconductor MgB2 and cuprates is estimated from the measured London penetration depth using a parameter-free expression. Ef of MgB2 and more than 30 lanthanum, yttrium and mercury-based cuprates appears to be about or below 100 meV, depending on doping. There is every evidence that the remarkable low value of Ef and the strong coupling of carriers with high-frequency phonons is the cause of high Tc in all newly discovered superconductors. Taking into account that the carriers mainly reside on oxygen in cuprates, on boron in magnesium diborade, and on carbon in doped fullerenes, these superconductors form what is essentially $nonadiabatic$ 'metallic' oxygen, boron and carbon, respectively. The boron isotope effect on the carrier mass in magnesium-diboride similar to the oxygen isotope effect on the supercarrier mass observed by Guo-meng Zhao et al. in cuprates is predicted.",0104413v1 2001-05-07,Possibility of the investigation of the X-ray diffraction patterns for yttrium ceramic YBa2Cu3Ox having different oxygen stoichiometry on the basis of the mixed-layer crystal model,"In view of the strong anisotropy of oxygen diffusion in high-Tc ceramic YBa2Cu3Ox, it is supposed that a polycrystalline sample of this material can be presented as consisting of crystal grains where each grain was formed by a certain sequence of layers with tetragonal or orthorhombic phase structure. The theory of scattering by mixed-layer crystals was taken as a basis for calculating theoretical X-ray patterns for different sequences of the layers. Some modifications were made in the theory due to crystal structure features of the YBa2Cu3Ox phases. The results obtained agreed quantitatively with data published in many papers and can be used for interpreting the X-ray patterns from ceramics with different oxygen stoichiometry.",0105133v1 2002-09-12,Electron momentum density in yttrium,"A simultaneous analysis of high-resolution directional Compton profiles and two-dimensional angular correlation of positron annihilation experimental data has been performed by studying both a directional anisotropy of measured spectra and reconstructed densities. The results were compared with theoretical fully-relativistic augmented plane-wave calculations with and without including correlation effects. Estimated symmetry selection rules have allowed us to establish some values of Fermi momenta. Both experiments show exactly the same shape of the anisotropy of the momentum densities, in agreement with the band structure results. In the positron annihilation data electron-positron correlations are not seen while in both experiments electron-electron correlations are observed.",0209297v1 2003-06-23,Disorder effects at low temperatures in La_{0.7-x}Y_{x}Ca_{0.3}MnO_{3} manganites,"With the aim of probing the effect of magnetic disorder in the low-temperature excitations of manganites, specific-heat measurements were performed in zero field, and in magnetic fields up to 9 T in polycrystalline samples of La_{0.7-x}Y_{x}Ca_{0.3}MnO_{3}, with Y concentrations x=0, 0.10, and 0.15. Yttrium doping yielded the appearance of a cluster-glass state, giving rise to unusual low-temperature behavior of the specific-heat. The main feature observed in the results is a strong enhancement of the specific-heat linear term, which is interpreted as a direct consequence of magnetic disorder. The analysis was further corroborated by resistivity measurements in the same compounds.",0306582v1 2004-10-01,Magnetic Properties of Cuprate Perovskites,"The magnetic susceptibility of underdoped yttrium and lanthanum cuprates is interpreted based on the self-consistent solution of the t-J model of a Cu-O plane. The calculations reproduce correctly the frequency dependencies of the susceptibility in YBa2Cu3O_{7-y} and La_{2-x}Sr_xCuO4 attributing their dissimilarity to the difference in the damping of spin excitations. In YBa2Cu3O_{7-y} these excitations are well defined at the antiferromagnetic wave vector Q=(\pi,\pi) even in the normal state which manifests itself in a pronounced maximum -- the resonance peak -- in the susceptibility. In La_{2-x}Sr_xCuO4 the spin excitations are overdamped which leads to a broad low-frequency feature in the susceptibility. The low-frequency incommensurability in the magnetic response is attributed to a dip in the magnon damping at Q. The calculated concentration and temperature dependencies of the incommensurability parameter conform with experimental observations. Generally the incommensurate magnetic response is not accompanied with an inhomogeneity of the carrier density.",0410009v1 2005-02-18,Accuracy of ab initio methods in predicting the crystal structures of metals: review of 80 binary alloys,"Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. We report the results of ab initio LDA/GGA computations for the following systems: AgAu, AgCd, AgMg, AgMo*, AgNa, AgNb*, AgPd, AgRh*, AgRu*, AgTc*, AgTi, AgY, AgZr, AlSc, AuCd, AuMo*, AuNb, AuPd, AuPt*, AuRh*, AuRu*, AuSc, AuTc*, AuTi, AuY, AuZr, CdMo*, CdNb*, CdPd, CdPt, CdRh, CdRu*, CdTc*, CdTi, CdY, CdZr, CrMg*, MoNb, MoPd, MoPt, MoRh, MoRu, MoTc*, MoTi, MoY*, MoZr, NbPd, NbPt, NbRh, NbRu, NbTc, NbY*, NbZr*, PdPt, PdRh*, PdRu*, PdTc, PdTi, PdY, PdZr, PtRh, PtRu, PtY, PtTc, PtTi, PtZr, RhRu, RhTc, RhTi, RhY, RhZr, RuTi, RuTc, RuY, RuZr, TcTi, TcY, TcZr, TiZr*, YZr* (*= systems in which the ab initio method predicts that no compounds are stable). A detailed comparison to experimental data confirms the high accuracy with which ab initio methods can predict ground states. Keywords: Binary Alloys, Ab initio, Intermetallics, Transition Metals, StructureAluminum, Cadmium, Gold, Magnesium, Molybdenum, Niobium, Palladium, Platinum, Rhodium, Ruthenium, Scandium, Silver, Sodium, Titanium, Technetium, Yttrium, Zirconium.",0502465v1 2005-08-27,The thermodynamic stability and hydration enthalpy of strontium cerate doped by yttrium,"The standard molar enthalpy of formation of SrY0.05Ce0.95O2.975 has been derived by combining the enthalpy of solution of this compound in 1 M HCl + 0.1 KI obtained by us and auxiliary literature data. The following value has been derived: DfH (SrY0.05Ce0.95O2.975, s, 298.15 K) = -1720.4 (3.4) kJ/mol. The obtained value has been used to obtain the formation enthalpy of SrY0.05Ce0.95O2.975 from the mixture of binary oxides (DoxH (298.15 K) = -45.9 (3.4) kJ/mol) and formation enthalpy of reaction of SrY0.05Ce0.95O2.975 with water forming Sr(OH)2, CeO2, Y2O3 (DrH (298.15 K) = -85.5 (3.4) kJ/mol). Data obtained by solution calorimetry and additional information on the entropies of different substances have shown that SrY0.05Ce0.95O2.975 is thermodynamically stable with respect to a mixture of SrO, Y2O3, CeO2 and that the reaction of SrY0.05Ce0.95O2.975 with water is thermodynamically favourable.",0508654v1 2005-10-21,"Superconductivity mediated by a soft phonon mode: specific heat, resistivity, thermal expansion and magnetization of YB6","The superconductor YB6 has the second highest critical temperature Tc among the boride family MBn. We report measurements of the specific heat, resistivity, magnetic susceptibility and thermal expansion from 2 to 300 K, using a single crystal with Tc = 7.2 K. The superconducting gap is characteristic of medium-strong coupling. The specific heat, resistivity and expansivity curves are deconvolved to yield approximations of the phonon density of states, the spectral electron-phonon scattering function and the phonon density of states weighted by the frequency-dependent Grueneisen parameter respectively. Lattice vibrations extend to high frequencies >100 meV, but a dominant Einstein-like mode at ~8 meV, associated with the vibrations of yttrium ions in oversized boron cages, appears to provide most of the superconducting coupling and gives rise to an unusual temperature behavior of several observable quantities. A surface critical field Hc3 is also observed.",0510572v3 2006-07-07,Polymer-Nanoparticle Complexes : from Dilute Solution to Solid State,"We report on the formation and the structural properties of supermicellar aggregates also called electrostatic complexes, made from mineral nanoparticles and polyelectrolyte-neutral block copolymers in aqueous solutions. The mineral particles put under scrutiny are ultra-fine and positively charged yttrium hydroxyacetate nanoparticles. Combining light, neutron and x-ray scattering experiments, we have characterized the sizes and the aggregation numbers of the organic-inorganic complexes. We have found that the hybrid aggregates have typical sizes in the range 100 nm and exhibit a remarkable colloidal stability with respect to ionic strength and concentration variations. Solid films with thicknesses up to several hundreds of micrometers were cast from solutions, resulting in a bulk polymer matrix in which nanoparticle clusters are dispersed and immobilized. It was found in addition that the structure of the complexes remains practically unchanged during film casting.",0607182v1 2006-12-01,Two types of Hc2(T) dependences in Bi_2Sr_2Ca_(1-x)Y_xCu_2O_(8+delta) with different Yttrium content,"We reanalyze the magnetization data collected on Bi_2Sr_2Ca_(1-x)Y_xCu_2O_(8+y) samples (Kim at al, Phys. Rev. B 72, 64525 (2005)) and argue that the method, which was used for the analysis of equilibrium magnetization data, is not adequate to the experimental situation. As a result, the temperature dependencies of the upper critical field Hc2(T) and the magnetic field penetration depth lambda (T), obtained in this work, are misinterpreted. Using a different approach to analysis, we demonstrate that the normalizedHc2(T) curves are rather different from those presented in the original publication and do not follow predictions of the Werthamer-Helfand-Hohenberg theory. Another important observation is that the Hc2(T) dependencies for two samples with different levels of doping are qualitatively different.",0612031v1 2007-03-20,"Steric quenching of the switchable mirror effect Phys. Rev. B 75, 104109 (2007)","Scandium was substituted for yttrium to observe the effect of unit cell size on the optical metal-to-insulator (MIT) transition in the Y_(1-z)Sc_(z)H_(x) alloy system. The optical transmittance decreases significantly for z>0.10. Simultaneous electrical resistivity measurements confirm the transition from trihydride to dihydride behavior with increasing z. These observations imply a quenching of the MIT when the unit cell volume falls below a critical level that is consistent with the boundary between trihydride and non-trihydride forming rare-earth elements. A combinatoric model reveals this formation boundary corresponds to two or more Sc per unit cell.",0703521v1 2003-04-07,Search for quantum transducers between electromagnetic and gravitational radiation: A measurement of an upper limit on the transducer conversion efficiency of yttrium barium copper oxide,"A minimal coupling rule for the coupling of the electron spin to curved spacetime in general relativity suggests the possibility of a coupling between electromagnetic and gravitational radiation mediated by means of a quantum fluid. Thus quantum transducers between these two kinds of radiation fields might exist. We report here on the first attempt at a Hertz-type experiment, in which a high-$\rm{T_c}$ superconductor (YBCO) was the sample material used as a possible quantum transducer to convert EM into GR microwaves, and a second piece of YBCO in a separate apparatus was used to back-convert GR into EM microwaves. An upper limit on the conversion efficiency of YBCO was measured to be $1.6\times10^{-5}$ at liquid nitrogen temperature.",0304026v1 2007-07-24,Terahertz spectroscopy of electromagnons in Eu_{1-x}Y_xMnO_3,"Dielectric permittivity spectra of yttrium-doped EuMnO$_3$ in the composition range 0 =< x =< 0.5 have been investigated in the terahertz frequency range. Magnetoelectric contributions to the permittivity were observed in all compositions for ac electric fields parallel to the crystallographic a-axis. Well defined electromagnons exist for x >= 0.2 close to \nu ~ 20 cm^{-1} and with dielectric strength strongly increasing on doping. In addition to electromagnons, a broad contribution of magnetoelectric origin is observed for all compositions. For Eu_{0.8}Y_{0.2}MnO_3 the electromagnons can be suppressed by external magnetic fields which induce a canted antiferromagnetic phase. Magnetoelectric effects in the different doping regimes are discussed in detail.",0707.3614v1 2007-11-10,Ab initio calculations of the electronic structure of cuprates using large scale cluster techniques,"The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-electron ab-initio cluster calculations for clusters comprising up to thirteen planar copper atoms associated with their nearest planar and apical oxygen atoms. Spin-polarized calculations in the framework of density functional theory have enabled an estimation of the superexchange couplings J. Electric field gradients at the planar copper sites are determined and their dependence on the occupation of the various atomic orbitals are investigated in detail. The changes of the electronic field gradient and of the occupation of orbitals upon doping are studied and discussed. Furthermore, magnetic hyperfine fields are evaluated and disentangled into on-site and transferred contributions, and the chemical shifts at the copper nucleus are calculated. In general the results are in good agreement with values deduced from experiments except for the value of the chemical shift with applied field perpendicular to the CuO2-plane.",0711.1606v1 2009-01-16,Surface superconducting states in yttrium hexaboride single crystal in a tilted magnetic field,"We present the results of an experimental study of the nucleation of superconductivity at the surface of a single crystal YB$_6$ in a tilted dc magnetic field. A recently developed experimental technique allowed us to determine $H_{c3}$ at each side of the sample as a function of the angle between the dc magnetic field and the surface. Experiment shows that the ratio $H_{c3}/ H_{c2}\approx 1.28 $ in the direction perpendicular to the surface dc field while according to the theory this ratio should be equal to 1. This sharp distinction cannot be ascribed to the surface roughness.",0901.2544v2 2009-12-23,The effect of anomalous adsorption of H2O and CO2 by pre-hydrated YBa_2Cu_3O_{6.53},"The results of a comprehensive study on the YBa_2Cu_3O_{6.53} oxide subjected to ""mild"" hydration (exposure at small values of pH2O) by a special technique have been reported. The material modified in this way acquires an interesting property; namely, in natural conditions it intensively absorbs large quantities of components (H2O and CO2) comprising the gas atmosphere. Arguments have been adduced that at least the water enters the crystal lattice of the yttrium-barium cuprate. This lattice is in the two-phase (tetragonal and orthorhombic) state: testing of the magnetic properties of the oxide has revealed the presence of antiferromagnetic and diamagnetic regions in this material.",0912.4601v1 2011-03-23,Numerical Simulation of Magnetic Interactions in Polycrystalline YFeO3,"The magnetic behavior of polycrystalline yttrium orthoferrite was studied from the experimental and theoretical points of view. Magnetization measurements up to 170 kOe were carried out on a single-phase YFeO3 sample synthesized from heterobimetallic alkoxides. The complex interplay between weak-ferromagnetic and antiferromagnetic interactions, observed in the experimental M(H) curves, was successfully simulated by locally minimizing the magnetic energy of two interacting Fe sublattices. The resulting values of exchange field (H_E = 5590 kOe), anisotropy field (H_A = 0.5 kOe) and Dzyaloshinsky-Moriya antisymmetric field (H_D = 149 kOe) are in good agreement with previous reports on this system.",1103.4462v1 2011-04-07,Electrostatic Control of the Evolution from Superconductor to Insulator in Ultrathin Films of Yttrium Barium Copper Oxide,"The electrical transport properties of ultrathin YBCO films have been modified using an electric double layer transistor configuration employing an ionic liquid. The films were grown on SrTiO3 substrates using high pressure oxygen sputtering. A clear evolution from superconductor to insulator was observed in nominally 7 unit cell thick films. Using a finite size scaling analysis, curves of resistance versus temperature, R(T), over the temperature range from 6K to 22K were found to collapse onto a single scaling function, which suggests the the presence of a quantum critical point. However the scaling failed at the lowest temperatures suggesting the presence of an additional phase between the superconducting and insulating regimes.",1104.1357v1 2011-08-22,Adler-Bell-Jackiw anomaly in Weyl semi-metals: Application to Pyrochlore Iridates,"Weyl semimetals are three dimensional analogs of graphene where the energy of the excitations are a linear function of their momentum. Pyrochlore Iridates $(A_{2}Ir_{2}O_{7})$ with A =yttrium or lanthanide element) are conjectured to be examples of such a system, with the low energy physics described by twenty four Weyl nodes. An intriguing possibility is that these materials provide a physical realization of the Adler-Bell-Jackiw anomaly. In this letter we investigate the properties of pyrochlore iridates in an applied magnetic field. We find that the dispersion of the lowest landau level depends on the direction of the applied magnetic field. As a consequence the magneto-conductivity in an electric field, applied parallel to the magnetic field is highly anisotropic, providing a detectable signature of the semi-metallic state.",1108.4426v2 2012-01-19,Quantum storage of polarization qubits in birefringent and anisotropically absorbing materials,"Storage of quantum information encoded into true single photons is an essential constituent of long-distance quantum communication based on quantum repeaters and of optical quantum information processing. The storage of photonic polarization qubits is, however, complicated by the fact that many materials are birefringent and have polarization-dependent absorption. Here we present and demonstrate a simple scheme that allows compensating for these polarization effects. The scheme is demonstrated using a solid-state quantum memory implemented with an ensemble of rare-earth ions doped into a biaxial yttrium orthosilicate ($Y_2SiO_5$) crystal. Heralded single photons generated from a filtered spontaneous parametric downconversion source are stored, and quantum state tomography of the retrieved polarization state reveals an average fidelity of $97.5 \pm 0.4%$, which is significantly higher than what is achievable with a measure-and-prepare strategy.",1201.4097v3 2012-04-16,Nonlinear Induction Detection of Electron Spin Resonance,"We present a new approach to the induction detection of electron spin resonance (ESR) signals exploiting the nonlinear properties of a superconducting resonator. Our experiments employ a yttrium barium copper oxide (YBCO) superconducting stripline microwave (MW) resonator integrated with a microbridge. A strong nonlinear response of the resonator is thermally activated in the microbridge when exceeding a threshold in the injected MW power. The responsivity factor characterizing the ESR-induced change in the system's output signal is about 100 times larger when operating the resonator near the instability threshold, compared to the value obtained in the linear regime of operation. Preliminary experimental results, together with a theoretical model of this phenomenon are presented. Under appropriate conditions nonlinear induction detection of ESR can potentially improve upon the current capabilities of conventional linear induction detection ESR.",1204.3588v2 2012-06-27,Effect of lattice volume and strain on the conductivity of BaCeY-oxide ceramic proton conductors,"In-situ electrochemical impedance spectroscopy was used to study the effect of lattice volume and strain on the proton conductivity of the yttrium-doped barium cerate proton conductor by applying the hydrostatic pressure up to 1.25 GPa. An increase from 0.62 eV to 0.73 eV in the activation energy of the bulk conductivity was found with increasing pressure during a unit cell volume change of 0.7%, confirming a previously suggested correlation between lattice volume and proton diffusivity in the crystal lattice. One strategy worth trying in the future development of the ceramic proton conductors could be to expand the lattice and potentially lower the activation energy under tensile strain.",1206.6287v1 2012-09-18,Magneto-optical trapping of diatomic molecules,"The development of the magneto-optical trap revolutionized the fields of atomic and quantum physics by providing a simple method for the rapid production of ultracold, trapped atoms. A similar technique for producing a diverse set of dense, ultracold diatomic molecular species will likewise transform the study of strongly interacting quantum systems, precision measurement, and physical chemistry. We demonstrate one- and two-dimensional transverse laser cooling and magneto-optical trapping of the polar molecule yttrium (II) oxide (YO). Using a quasicycling optical transition we observe transverse Doppler cooling of a YO molecular beam to a temperature of 5 mK, limited by interaction time. With the addition of an oscillating magnetic quadrupole field we demonstrate a transverse magneto-optical trap and achieve temperatures of 2 mK.",1209.4069v1 2013-03-06,Crystal field with Wannier functions: Application to rare-earth aluminates,"A method to calculate the crystal field parameters {\it ab initio} is proposed and applied to trivalent rare earth impurities in yttrium aluminate and to Tb$^{3+}$ ion in TbAlO$_3$. To determine crystal field parameters local Hamiltonian expressed in basis of Wannier functions is expanded in a series of spherical tensor operators. Wannier functions are obtained by transforming the Bloch functions calculated using the density functional theory based program. The results show that the crystal field is continuously decreasing as the number of $4f$ electrons increases and that the hybridization of $4f$ states with the states of oxygen ligands is important. Theory is confronted with experiment for Nd$^{3+}$ and Er$^{3+}$ ions in YAlO$_3$ and for Tb$^{3+}$ ion in TbAlO$_3$ and a fair agreement is found.",1303.1281v3 2013-03-29,Point-contact spectroscopy of the phononic mechanism of superconductivity in YB6,"Lortz et al. [Phys. Rev. B 73, 024512 (2006)] have utilized specific heat and resistivity measurements as ""thermal spectroscopies"" to deconvolve the spectrum of the electron-phonon interaction in YB$_6$ assuming a major role of the low frequency phonon mode in mediating superconductivity. Here, we present direct point-contact spectroscopy studies of the superconducting interaction in this system. As a result the normalized superconducting gap reveals a strong coupling with $2\Delta/k_BT_c = 4$ and moreover the spectra contain nonlinearities typical of the electron-phonon interaction at energies around 8 meV. The in-magnetic-field measurements evidence that the phonon features found in the second derivative of the current-voltage characteristics are due to the energy dependence of the superconducting energy gap as their energy position shrinks equally as the gap is closing. This is a direct proof that the superconducting coupling in the system is due to the low energy Einstein-like phonon mode associated with the yttrium ion vibrations in a perfect agreement with determinations from bulk measurements.",1303.7321v1 2013-07-23,Solution calorimetry investigations of new phase BaCe0.6Y0.3In0.1O2.8,"The preparation of BaCeO3 doped by yttrium and indium oxides (BaCe0.6Y0.3In0.1O2.8) has been performed by solid-state reaction from BaCO3, CeO2, Y2O3, In2O3. The compound BaCe0.6Y0.3In0.1O2.8 has been synthesized for the first time. The X-ray measurements have showed that BaCe0.6Y0.3In0.1O2.8 has an orthorhombic structure (space group Pmcn). The standard formation enthalpies of BaCe0.6Y0.3In0.1O2.8 have been determined by solution calorimetry combining the solution enthalpies of BaCe0.6Y0.3In0.1O2.8 and BaCl2 + 0.6CeCl3 + 0.3YCl3 + 0.1InCl3 mixtures in 1 M HCl with 0.1 M KI at 298.15 K and literature data. It has been obtained that above-mentioned mixed oxide is thermodynamically stable with respect to their decomposition into binary oxides at room temperatures. It has been also shown that BaCe0.6Y0.3In0.1O2.8 has been more thermodynamically favored than BaCe0.9In0.1O2.95.",1307.5940v1 2013-08-27,Nuclear beta decay with Lorentz violation,"We consider the possibility of Lorentz-invariance violation in weak-decay processes. We present a general approach that entails modifying the W-boson propagator by adding a Lorentz-violating tensor to it. We describe the effects of Lorentz violation on nuclear beta decay in this scenario. In particular we show the expression for a first-forbidden transition with a spin change of two. Using data from an old experiment on the rotational invariance of yttrium-90, we derive several bounds on the Lorentz-violating parameters of the order of 10^(-6)-10^(-8).",1308.5829v2 2013-09-16,Results on damage induced by high-energy protons in LYSO calorimeter crystals,"Lutetium-Yttrium Orthosilicate doped with Cerium (LYSO:Ce), as a bright scintillating crystal, is a candidate for calorimetry applications in strong ionizing-radiation fields and large high-energy hadron fluences as are expected at the CERN Large Hadron Collider after the planned High-Luminosity upgrade. There, proton-proton collisions will produce fast hadron fluences up to ~5E14/cm^2 in the large-rapidity regions of the calorimeters. The performance of LYSO:Ce has been investigated, after exposure to different fluences of 24 GeV/c protons. Measured changes in optical transmission as a function of proton fluence are presented, and the evolution over time due to spontaneous recovery at room temperature is studied. The activation of materials will also be an issue in the described environment. Studies of the ambient dose induced by LYSO and its evolution with time, in comparison with other scintillating crystals, have also been performed through measurements and FLUKA simulations.",1309.3872v2 2013-10-14,Element spots in HgMn stars,"A fraction of late B-type stars, the so-called HgMn stars, exhibit enhanced absorption lines of certain chemical elements, notably Hg and Mn, combined with an underabundance of He. For about a decade now the elements with anomalously high abundances in HgMn stars are known to be distributed inhomogeneously over the stellar surface. Temporal evolution of these elemental spots have been reported in a few HgMn stars, first secular evolution of the mercury spots in alpha And, and recently also a fast evolution of yttrium and strontium spots in HD 11753. The fast evolution of spots in HD 11753 is combined with a slower change in the overall abundance of the affected elements. In this paper I review what is known of elemental spots in HgMn stars and their secular and fast temporal evolution.",1310.3686v1 2013-11-12,Feasibility Study on SRF Cavity Improvement by Doping Method,"In this article a new idea is proposed by PKU group to improve the RF superconductive property of niobium cavity. Rare earth elements like scandium and yttrium are doped into ingot niobium during the smelting processes. A series of experiments have been done since 2010, and the preliminary testing results show that the magnetic property of niobium materials has been changed with different doping elements and proportions while the superconductive transition temperature almost does not change. Then a large ingot niobium doped with scandium was melted. RRR and mechanical properties were measured. This method may increase the superheating magnetic field and decrease surface resistance of niobium so as to improve the performance of niobium cavity which is a key component of SRF accelerators. A single-cell cavity made of Sc-doped niobium has been fabricated.",1311.2710v1 2013-12-12,Commissioning of the Francium Trapping Facility at TRIUMF,"We report on the successful commissioning of the Francium Trapping Facility at TRIUMF. Large laser-cooled samples of francium are produced from a francium ion beam delivered by the ISAC radioactive ion beam facility. The ion beam is neutralized on an yttrium foil, which is subsequently heated to transfer the atoms into the magneto-optical trapping region. We have successfully trapped $^{207}$Fr, $^{209}$Fr and $^{221}$Fr, with a maximum of $2.5 \times 10^5$ $^{209}$Fr atoms. The neutral cold atoms will be used in studies of the weak interaction through measurements of atomic parity non-conservation.",1312.3562v1 2014-04-11,Rotated stripe order and its competition with superconductivity in La$_{1.88}$Sr$_{0.12}$CuO$_4$,"We report the observation of a bulk charge modulation in La$_{1.88}$Sr$_{0.12}$CuO$_4$ (LSCO) with a characteristic in-plane wave-vector of (0.236, $\pm \delta$), with $\delta$=0.011 r.l.u. The transverse shift of the ordering wave-vector indicates the presence of rotated charge-stripe ordering, demonstrating that the charge ordering is not pinned to the Cu-O bond direction. On cooling through the superconducting transition, we find an abrupt change in the growth of the charge correlations and a suppression of the charge order parameter indicating competition between the two orderings. Orthorhombic LSCO thus helps bridge the apparent disparities between the behavior previously observed in the tetragonal ""214"" cuprates and the orthorhombic yttrium and bismuth-based cuprates and thus lends strong support to the idea that there is a common motif to charge order in all cuprate families.",1404.3193v2 2014-04-21,Wide-angle energy-momentum spectroscopy,"Light emission is defined by its distribution in energy, momentum, and polarization. Here, we demonstrate a method that resolves these distributions by means of wide-angle energy-momentum spectroscopy. Specifically, we image the back focal plane of a microscope objective through a Wollaston prism to obtain polarized Fourier-space momentum distributions, and disperse these two-dimensional radiation patterns through an imaging spectrograph without an entrance slit. The resulting measurements represent a convolution of individual radiation patterns at adjacent wavelengths, which can be readily deconvolved using any well-defined basis for light emission. As an illustrative example, we use this technique with the multipole basis to quantify the intrinsic emission rates for electric and magnetic dipole transitions in europium-doped yttrium oxide (Eu$^{3+}$:Y$_{2}$O$_{3}$) and chromium-doped magnesium oxide (Cr$^{3+}$:MgO). Once extracted, these rates allow us to reconstruct the full, polarized, two-dimensional radiation patterns at each wavelength.",1404.5109v1 2014-06-20,Photoluminescence of focused ion beam implanted Er$^{3+}$:Y$_{2}$SiO$_{5}$ crystals,"Erbium doped low symmetry Y$_2$SiO$_5$ crystals attract a lot of attention in perspective of quantum information applications. However, only doping of the samples during growth is available up to now, which yields a quite homogeneous doping density. In the present work, we deposit Er$^{3+}$-ions by the focused ion beam technique at Yttrium sites with several fluences in one sample. With a photoluminescence study of these locally doped Er$^{3+}$:Y$_2$SiO$_5$ crystals, we are able to evaluate the efficiency of the implantation process and develop it for the highest efficiency possible. We observe the dependence of the ion activation after the post-implantation annealing on the fluence value.",1406.5371v1 2014-10-21,Radial velocity measurements of the pulsating zirconium star: LS IV -14 116,"The helium-rich hot subdwarf LS IV -14 116 shows remarkably high surface abundances of zirconium, yttrium, strontium, and germanium, indicative of strong chemical stratification in the photosphere. It also shows photometric behaviour indicative of non-radial g-mode pulsations, despite having surface properties inconsistent with any known pulsational instability zone. We have conducted a search for radial velocity variability. This has demonstrated that at least one photometric period is observable in several absorption lines as a radial velocity variation with a semi-amplitude in excess of 5 km s$^{-1}$. A correlation between line strength and pulsation amplitude provides evidence that the photosphere pulsates differentially. The ratio of light to velocity amplitude is too small to permit the largest amplitude oscillation to be radial.",1410.5732v1 2015-01-09,Coherent frequency up-conversion of microwaves to the optical telecommunications band in an Er:YSO crystal,"The ability to convert quantum states from microwave photons to optical photons is important for hybrid system approaches to quantum information processing. In this paper we report the up-conversion of a microwave signal into the optical telecommunications wavelength band using erbium dopants in a yttrium orthosilicate crystal via stimulated Raman scattering. The microwaves were applied to the sample using a 3D copper loop-gap resonator and the coupling and signal optical fields were single passed. The conversion efficiency was low, in agreement with a theoretical analysis, but can be significantly enhanced with an optical resonator.",1501.02014v2 2015-01-20,Rotational state microwave mixing for laser cooling of complex diatomic molecules,"We demonstrate the mixing of rotational states in the ground electronic state using microwave radiation to enhance optical cycling in the molecule yttrium (II) monoxide (YO). This mixing technique is used in conjunction with a frequency modulated and chirped continuous wave laser to slow longitudinally a cryogenic buffer gas beam of YO. We generate a measurable flux of YO below 10~m/s, directly loadable into a three-dimensional magneto-optical trap. This technique opens the door for laser cooling of molecules with more complex structure.",1501.04683v1 2015-03-17,The Hubbard model in strong magnetic field: Low-frequency quantum oscillations due to strong electron correlations,"The density of states of the two-dimensional fermionic Hubbard model in the perpendicular homogeneous magnetic field is calculated using the strong coupling diagram technique. The density of states at the Fermi level as a function of the inverse magnetic induction oscillates, and the frequency of these oscillations increases by an order of magnitude with the change of the deviation from half-filling from small to moderate values. This frequency variation is caused by the change of Landau subbands contributing to the density -- in the former case they are at the periphery of the Landau spectrum, while in the latter case the dominant contribution is provided by bands near its center. With changing induction these groups of bands behave differently. For small deviations from half-filling the calculated oscillation frequency is comparable to that observed in quantum oscillation experiments in yttrium cuprates.",1503.04934v1 2015-03-25,Cold Brownian motion in aqueous media via anti-Stokes photoluminescence,"Advances in cryogenic sciences have enabled several observations of new low-temperature physical phenomena including superconductivity, superfluidity, and Bose-Einstein condensates. Heat transfer is also critical in numerous applications including thermal management within integrated microelectronics and the regulation of plant-growth and development. Here we demonstrate that single-beam laser-trapping can be used to induce and quantify the local refrigeration of aqueous media through analysis of the cold Brownian dynamics of individual Yb3+-doped yttrium lithium fluoride (YLF) crystals in an inhomogeneous temperature field via forward light scattering and back-focal-plane interferometry. A tunable, NIR continuous-wave laser is used to optically trap individual YLF crystals with an irradiance on the order of 1 MW/cm2. Heat is transported out of the crystal lattice (across the solid / liquid interface) by anti-Stokes photoluminescence following upconversion of Yb3+ excited states mediated by optical-phonon absorption. The cold Brownian motion (CBM) analysis of individual YLF crystals indicates local cooling by >21 C below ambient conditions suggesting a range of potential future applications.",1503.07265v1 2015-04-03,High-resolution spectroscopy of single Pr$^{3+}$ ions on the $^3$H$_4$-$^1$D$_2$ transition,"Rare earth ions in crystals exhibit narrow spectral features and hyperfine-split ground states with exceptionally long coherence times. These features make them ideal platforms for quantum information processing in the solid state. Recently, we reported on the first high-resolution spectroscopy of single Pr$^{3+}$ ions in yttrium orthosilicate (YSO) nanocrystals. While in that work we examined the less explored $^3$H$_4$-$^3$P$_0$ transition at a wavelength of 488 nm, here we extend our investigations to the $^3$H$_4$-$^1$D$_2$ transition at 606 nm. In addition, we present measurements of the second-order autocorrelation function, fluorescence lifetime, and emission spectra of single ions as well as their polarization dependencies on both transitions; these data were not within the reach of the first experiments reported earlier. Furthermore, we show that by a proper choice of the crystallite, one can obtain narrower spectral lines and, thus, resolve the hyperfine levels of the excited state. We expect our results to make single-ion spectroscopy accessible to a larger scientific community.",1504.00857v1 2015-07-03,Nanophotonic coherent light-matter interfaces based on rare-earth-doped crystals,"Quantum light-matter interfaces (QLMIs) connecting stationary qubits to photons will enable optical networks for quantum communications, precise global time keeping, photon switching, and studies of fundamental physics. Rare-earth-ion (REI) doped crystals are state-of-the-art materials for optical quantum memories and quantum transducers between optical photons, microwave photons and spin waves. Here we demonstrate coupling of an ensemble of neodymium REIs to photonic nano-cavities fabricated in the yttrium orthosilicate host crystal. Cavity quantum electrodynamics effects including Purcell enhancement (F=42) and dipole-induced transparency are observed on the highly coherent 4I9/2-4F3/2 optical transition. Fluctuations in the cavity transmission due to statistical fine structure of the atomic density are measured, indicating operation at the quantum level. Coherent optical control of cavity-coupled REIs is performed via photon echoes. Long optical coherence times (T2~100 microseconds) and small inhomogeneous broadening are measured for the cavity-coupled REIs, thus demonstrating their potential for on-chip scalable QLMIs.",1507.00977v1 2015-10-19,Ferroelectric polarization switching with a remarkably high activation-energy in orthorhombic GaFeO3 thin films,"Orthorhombic GaFeO3 (o-GFO) with the polar Pna21 space group is a prominent ferrite by virtue of its piezoelectricity and ferrimagnetism, coupled with magneto-electric effects. Herein, we unequivocally demonstrate a large ferroelectric remanent polarization in undoped o-GFO thin films by adopting either a hexagonal strontium titanate (STO) or a cubic yttrium-stabilized zirconia (YSZ) substrate. The polarization-electric-field hysteresis curves of the polar c-axis-grown o-GFO film on a SrTiO3/STO substrate show the net switching polarization of ~35 {\mu}C/cm2 with an unusually high coercive field of +-1400 kV/cm at room temperature. The PUND measurement also demonstrates the switching polarization of ~26 {\mu}C/cm2. The activation energy for the polarization switching, as obtained by density-functional theory calculations, is remarkably high, 1.05 eV per formula unit. This high value accounts for the observed stability of the polar Pna21 phase over a wide range of temperature up to 1368 K.",1510.05359v1 2015-10-29,Controlled emission and coupling of small-size YAG:Ce3+ nanocrystals to gold nanowire,"We report a controlled emission of Ce3+ ions inside single Yttrium Aluminum Gar- net Y3Al5O12 (YAG:Ce3+) nanocrystals with a diameter of 22 +- 10 nm as a result of a coupling of a surface plasmon mode propagating along single gold nanowire (NW). From the PL images, the intensity for single YAG:Ce3+ nanocrystals in the proximity of the single gold NW increases by a factor of two in comparison with that without the NW. Also, we observe a maximum of 3.8-fold emission rate en- hancements for the single nanocrystal close to the single gold NW. The emission rate enhancements of YAG:Ce3+ nanocrystals are two folds the enhancements of 100-nm fluorescent nanospheres. This value is in agreement with the calculation of a combi- nation from the analytical scattering model and boundary element method (BEM). We also confirm that the small size light sources are more efficient for the emission rate enhancements. Thus, the controlled emission of small YAG:Ce3+ nanocrystals with the perfect photostabilities will pave the way for the ultimate efficient nanoscale light sources.",1510.08769v1 2015-12-11,Coupling erbium spins to a three-dimensional superconducting cavity at zero magnetic field,"We experimentally demonstrate the coupling at zero magnetic field of an isotopically pure erbium doped yttrium orthosilicate crystal ($^{167}$Er:YSO) to a three-dimensional superconducting cavity with a $Q$ factor of $10^5$. A tunable loop-gap resonator is used, and its resonance frequency is tuned to observe the hyperfine transitions of the erbium sample. The observed spectrum differs from what is predicted by the published spin Hamiltonian parameters. The narrow cavity linewidth also enables the observation of asymmetric line shapes for these hyperfine transitions. Such a broadly tunable superconducting cavity (from 1.6 GHz to 4.0 GHz in the current design) is a promising device for building hybrid quantum systems.",1512.03606v2 2016-02-08,Phase separated behavior in Yttrium doped CaMnO3,"The effect of electron doping on the structural, transport, and magnetic properties of Mn (IV) - rich Ca1-xYxMnO3 (x < 0.2) samples have been investigated using neutron diffraction, neutron depolarization, magnetization and resistivity techniques. The temperature dependence of resistivity follows the small polaron model and the activation energy exhibits a minimum for x=0.1 sample. A phase separated magnetic ground state consisting of ferromagnetic domains (~7microns) embedded in G-type antiferromagnetic matrix is observed in the sample, x = 0.1. The transition to the long range magnetically ordered state in this sample is preceded by a Griffiths phase. On lowering temperature below 300K a structural transition from orthorhombic structure (Pnma) to a monoclinic structure (P21/m) is observed in the case of x=0.2 sample. The ferromagnetic behavior in this case is suppressed and the antiferromagnetic ordering is described by coexisting C-type and G-type magnetic structures corresponding to the monoclinic and orthorhombic phases, respectively.<",1602.02479v1 2016-07-05,Effects of intense optical phonon pumping on the structure and electronic properties of yttrium barium copper oxide,"We investigate the structural modulations induced by optical excitation of a polar phonon mode in YBa$_2$Cu$_3$O$_7$, using first-principles calculations based on density functional theory. We focus on the intense-excitation regime in which we expect that fourth-order phonon-phonon coupling terms dominate, and model the structural modulations induced by pulses of such intensity. Our calculations of the phonon-phonon anharmonicities confirm that the cubic coupling between modes, shown in earlier work to cause a quasi-static change in the apical O - Cu distance and a buckling of the CuO$_2$ planes, is the leading contribution at moderate pump strengths. At higher pump strengths ($\sim$10 MV/cm) the previously neglected quartic couplings become relevant and produce an additional shearing of the CuO$_2$ planes. Finally, we analyze the changes in the electronic and magnetic properties associated with the induced structural changes.",1607.01180v2 2017-02-08,Low-Temperature Microwave Properties of Biaxial YAlO3,"Low-loss crystals with defects due to paramagnetic or rare earth impurity ions is a major area of investigation for quantum hybrid systems at both optical and microwave frequencies. In this work we examine the single crystal yttrium aluminium perovskite, YAlO$_3$ using the Whispering Gallery Mode Technique. Multiple resonant microwave modes were measured from room temperature to 20 mK allowing precise characterization of the permittivity tensor at microwave frequencies. We show that it is biaxial and characterize the tensor as a function of temperature with estimated uncertainties below 0.26%. Electron spin resonance spectroscopy was also performed at 20 mK, with new transitions identified with Zero-Field splittings of 16.72 and 9.92 GHz. Spin-photon couplings of order 4.2 and 8.4 MHz were observed for residual levels of concentration, which are stronger than the photon cavity linewidths of 116 kHz but the same order of the linewidths of the discovered spin transitions.",1702.02288v2 2017-12-22,Magnetoresistance in YBi and LuBi semimetals due to nearly perfect carrier compensation,"Monobismuthides of yttrium and lutetium are shown as new representatives of materials which exhibit extreme magnetoresistance and magnetic-field-induced resistivity plateau. At low temperatures and in magnetic field of 9T the magnetoresistance attains the order of magnitude of 10,000% and 1,000%, on YBi and LuBi, respectively. Our thorough examination of electron transport properties of both compounds show that observed features are the consequence of nearly perfect carrier compensation rather than of possible nontrivial topology of electronic states. The field-induced plateau of electrical resistivity can be explained with Kohler scaling. Anisotropic multi-band model of electronic transport describes very well the magnetic field dependence of electrical resistivity and Hall resistivity. Data obtained from the Shubnikov-de Haas oscillations analysis also confirm that Fermi surface of each compound contains almost equal amounts of holes and electrons. First-principle calculations of electronic band structure are in a very good agreement with the experimental data.",1712.08433v3 2018-03-20,Optically addressing single rare-earth ions in a nanophotonic cavity,"We demonstrate optical probing of spectrally resolved single Nd rare-earth ions in yttrium orthovanadate. The ions are coupled to a photonic crystal resonator and show strong enhancement of the optical emission rate via the Purcell effect, resulting in near radiatively limited single photon emission. The measured high coupling cooperativity between a single photon and the ion allows for the observation of coherent optical Rabi oscillations. This could enable optically controlled spin qubits, quantum logic gates, and spin-photon interfaces for future quantum networks.",1803.07520v2 2018-08-03,3-D Magneto-Optical Trap of Yttrium Monoxide,"We report three-dimensional trapping of an oxide molecule (YO), using a radio-frequency magneto-optical trap (MOT). The total number of molecules loaded is $\sim$1.5$\times10^4$ , with a temperature of 7(1)~mK. This diversifies the frontier of molecules that are laser coolable and paves the way for the second-stage narrow-line cooling in this molecule to the microkelvin regime. Futhermore, the new challenges of creating a 3-D MOT of YO resolved here indicate that MOTs of more complex non-linear molecules should be feasible as well.",1808.01067v1 2018-08-21,Superconductivity at 215 K in lanthanum hydride at high pressures,"We synthesized lanthanum hydride (LaHx) by laser heating of lanthanum in hydrogen atmosphere at pressure P = 170 GPa. The sample shows a superconducting step at 209 K and 170 GPa and temperature dependence of resistance. By releasing the pressure to 150 GPa, the superconducting transition temperature Tc increases to 215 K - the record Tc. This finding supports a way of achieving Tc higher than the one in H3S (203 K) in hydrides with sodalite-like structures, first proposed for CaH6 (Tc=245 K) and later for yttrium and lanthanum hydrides where higher, room temperature superconductivity is expected.",1808.07039v1 2018-10-06,Ultrafast negative thermal expansion driven by spin-disorder,"We measure the transient strain profile in a nanoscale multilayer system composed of Yttrium, Holmium and Niobium after laser excitation using ultrafast X-ray diffraction. The strain propagation through each layer is determined by transient changes of the material-specific Bragg angles. We experimentally derive the exponentially decreasing stress profile driving the strain wave and show that it closely matches the optical penetration depth. Below the Neel temperature of Ho, the optical excitation triggers negative thermal expansion, which is induced by a quasi-instantaneous contractive stress, and a second contractive stress contribution rising on a 12 ps timescale. These two timescales have recently been measured for the spin-disordering in Ho [Rettig et al, PRL 116, 257202 (2016)]. As a consequence we observe an unconventional bipolar strain pulse with an inverted sign travelling through the heterostructure.",1810.03036v1 2018-10-30,Magnetic field sensing with the kinetic inductance of a high-$T_\mathrm{c}$ superconductor,"We carry out an experimental feasibility study of a magnetic field sensor based on the kinetic inductance of the high-$T_\mathrm{c}$ superconductor yttrium barium copper oxide. We pattern thin superconducting films into radio-frequency resonators that feature a magnetic field pick-up loop. At 77 K and for film thicknesses down to 75 nm, we observe the persistence of screening currents that modulate the loop kinetic inductance. According to the experimental results the device concept appears attractive for sensing applications in ambient magnetic field environments. We report on a device with a magnetic field sensitivity of 4 pT/Hz${}^{1/2}$, an instantaneous dynamic range of 11 $\mu$T, and operability in magnetic fields up to 28 $\mu$T.",1810.12725v1 2018-11-14,Observation of Optical Refrigeration in a Holmium-doped Crystal,"We report the first demonstration of solid-state optical refrigeration of a Ho-doped material. A 1 mol% Ho-doped Yttrium Lithium Fluoride (YLF) crystal is cooled by mid-IR laser radiation, and its external quantum efficiency and parasitic background absorption are evaluated. Using detailed temperature-dependent spectroscopic analysis the minimum achievable temperature of a 1% Ho:YLF sample is estimated. Owing to its narrower ground- and excited-state manifolds, larger absorption cross-section, and coincidence of optimum cooling wavelength of 2070 nm with commercially available high-power and highly efficient Tm-fiber lasers, Ho^3+-doped crystals are superior to Tm^3+-doped systems for mid-IR optical refrigeration. With further improvement in material purity and increased doping concentration, they offer great potential towards enhancing the cooling efficiency nearly two-fold over the best current Yb:YLF systems, achieving lower temperatures as well as for realization of eye-safe mid-IR high-power radiation balanced lasers.",1811.05745v1 2018-12-05,Influence of composition and heating schedules on compatibility of FeCrAl alloys with high-temperature steam,"FeCrAl alloys are proposed and being intensively investigated as alternative accident tolerant fuel (ATF) cladding for nuclear fission application. Herein, the influence of major alloy elements (Cr and Al), reactive element effect and heating schedules on the oxidation behavior of FeCrAl alloys in steam up to 1500{\deg}C was examined. In case of transient ramp tests, catastrophic oxidation, i.e. rapid and complete consumption of the alloy, occurred during temperature ramp up to above 1200{\deg}C for specific alloys. The maximum compatible temperature of FeCrAl alloys in steam increases with raising Cr and Al content, decreasing heating rates during ramp period and doping of yttrium. Isothermal oxidation resulted in catastrophic oxidation at 1400{\deg}C for all examined alloys. However, formation of a protective alumina scale at 1500{\deg}C was ascertained despite partial melting. The occurrence of catastrophic oxidation seems to be controlled by dynamic competitive mechanisms between mass transfer of Al from the substrate and transport of oxidizing gas through the scale both toward the metal/oxide scale interface.",1812.01850v1 2018-12-21,Deep and persistent spectral holes in Tm-doped yttrium orthosilicate for imaging applications,"With their optical wavelength in the near infrared (790-800nm) and their unique spectroscopic properties at cryogenic temperatures, thulium-doped crystals are at the center of many architectures linked to classical signal processing and quantum information. In this work, we focus on Tm-doped YSO, a compound that was left aside in the mid-1990s due to its rather short optical coherence lifetime. By means of time-resolved hole-burning spectroscopy, we investigate the anisotropic enhanced nuclear Zeeman effect and demonstrate deep, sub-MHz, persistent spectral hole burning under specific magnetic field orientation and magnitude. By estimating the experimental parameters corresponding to a real-scale ultrasound optical tomography setup using Tm:YSO as a spectral filter, we validate Tm:YSO as a promising compound for medical imaging in the human body.",1812.10369v2 2019-04-17,Nanophotonic quantum storage at telecommunications wavelength,"Quantum memories for light are important components for future long distance quantum networks. We present on-chip quantum storage of telecommunications band light at the single photon level in an ensemble of erbium-167 ions in an yttrium orthosilicate photonic crystal nanobeam resonator. Storage times of up to 10 $\mu$s are demonstrated using an all-optical atomic frequency comb protocol in a dilution refrigerator under a magnetic field of 380 mT. We show this quantum storage platform to have high bandwidth, high fidelity, and multimode capacity, and we outline a path towards an efficient erbium-167 quantum memory for light.",1904.08052v1 2019-04-17,Aqueous metal-organic solutions for YSZ thin film inkjet deposition,"Inkjet printing of 8% Y2O3-stabilized ZrO2 (YSZ) thin films is achieved by designing a novel water-based reactive ink for Drop-on-Demand (DoD) inkjet printing. The ink formulation is based on a novel chemical strategy that consists of a combination of metal oxide precursors (zirconium alkoxide and yttrium salt), water and a nucleophilic agent, i.e. n-methyldiethanolamine (MDEA). This chemistry leads to metal-organic complexes with long term ink stability and high precision printability. Ink rheology and chemical reactivity are analyzed and controlled in terms of metal-organic interactions in the solutions. Thin dense nanocrystalline YSZ film below 150 nm are obtained by low temperature calcination treatments (400-500 {\deg}C), making the deposition suitable for a large variety of substrates, including silicon, glass and metals. Thin films and printed patterns achieve full densification with no lateral shrinkage and high ionic conductivity.",1904.08143v1 2019-07-28,Coherent control and single-shot readout of a rare-earth ion embedded in a nanophotonic cavity,"Quantum networks based on optically addressable spin qubits promise to enable secure communication, distributed quantum computing, and tests of fundamental physics. Scaling up quantum networks based on solid-state luminescent centers requires coherent spin and optical transitions coupled to photonic resonators. Here we investigate single $\mathrm{{}^{171}Yb^{3+}}$ ions in yttrium orthovanadate coupled to a nanophotonic cavity. These ions possess optical and spin transitions that are first-order insensitive to magnetic field fluctuations, enabling optical linewidths less than 1 MHz and spin coherence times exceeding 30 ms for cavity-coupled ions. The cavity-enhanced optical emission rate facilitates efficient spin initialization and conditional single-shot readout with fidelity greater than 95%. These results showcase a solid-state platform based on single coherent rare-earth ions for the future quantum internet.",1907.12161v1 2019-08-18,Pressure induced electronic structure transformation of topological semimetal,"We study the electronic structure change of yttrium trihydride $\mathrm{YH_3}$ by applying a hydrostatic pressure. At zero pressure, $\mathrm{YH_3}$ has the structure with energy favored symmetry group $P\bar{3}c1$ (165). From first principle calculation, we argue that the band crossings are caused by overlapping of an electron- and hole-like bands. Besides the space inversion symmetry ($\mathcal{I}$) and the time reversal symmetry, the band structure also exhibits an approximate particle-hole symmetry. Thus, $\mathrm{YH_3}$ can be viewed as a pseudo nodal surface semimetal belongs to class BDI of the ten-fold AZ+ $\mathcal{I}$ classifications of gapless topological matter. As pressure increases, the approximate particle-hole symmetry is gradually broken and the pseudo nodal surface turns into a nodal ring belonging to the class AI with fewer non-spatial symmetries. Also, the nodal ring is shrinking in the process. At about $31$ GPa, which is higher than the reported structure phase transition pressure $21$ GPa, the nodal ring shrinks to a nodal point. When above $31$ GPa, all band crossings are gapped out and $\mathrm{YH_3}$ becomes a trivial insulator eventually.",1908.06494v2 2019-08-28,Alkali ion-to-neutral atom converter for the magneto-optical trap of a radioactive isotope,"We have developed a unique neutralizer device that uses an yttrium target surrounded by a platinum wall to magneto-optically trap radioactive atoms. In general, the radioactive nucleus produced in a nuclear reaction is extracted and transported in ion form. For the magneto-optical trap, thermal neutralization must occur on the surface of a metal with a small work function. The converter can produce a neutral atomic beam with small angular divergence that, given the recycling of atoms and ions, converts ions into neutral atoms with remarkable efficiency. We demonstrated the ion neutralization process using stable rubidium and confirmed $10^6$ neutralized atoms in the magneto-optical trap. Additionally, the experiment using francium demonstrated the obtaining of neutralized francium atoms.",1908.10686v1 2019-09-26,Coherent charge and magnetic ordering in Ho/Y superlattice revealed by element-selective x-ray scattering,"Magnetic rare-earth / non-magnetic metal superlattices are well-known to display chiral spin helices in the rare-earth layers that propagate coherently across the non-magnetic layers. However, the underlying mechanism that preserves the magnetic phase and chirality coherence across the non-magnetic layers has remained elusive. In this Letter, we use resonant and element-specific x-ray scattering to evidence directly the formation of two fundamentally different long-range modulations in a Holmium/Yttrium (Ho/Y) multilayer: the known Ho chiral spin helix with periodicity 25 {\AA}, and a newly observed charge density wave with periodicity 16 {\AA} that propagates through both the Ho and non-magnetic Y layer. With x-ray circular magnetic dichroism measurements ruling out the existence of a magnetic proximity effect induced moment in the non-magnetic Y layers, we propose that the charge density wave is also chiral, thus providing the means for the transmittance of magnetic chirality coherence between Ho layers.",1909.12372v2 2019-10-04,Solid-state laser refrigeration of a semiconductor optomechanical resonator,"Photothermal heating represents a major constraint that limits the performance of many nanoscale optoelectronic and optomechanical devices including nanolasers, quantum optomechanical resonators, and integrated photonic circuits. Although radiation-pressure damping has been reported to cool an individual vibrational mode of an optomechanical resonator to its quantum ground state, to date the internal material temperature within an optomechanical resonator has not been reported to cool via laser excitation. Here we demonstrate the direct laser refrigeration of a semiconductor optomechanical resonator >20K below room temperature based on the emission of upconverted, anti-Stokes photoluminescence of trivalent ytterbium ions doped within a yttrium-lithium-fluoride (YLF) host crystal. Optically-refrigerating the lattice of a dielectric resonator has the potential to impact several fields including scanning probe microscopy, the sensing of weak forces, the measurement of atomic masses, and the development of radiation-balanced solid-state lasers. In addition, optically refrigerated resonators may be used in the future as a promising starting point to perform motional cooling for exploration of quantum effects at mesoscopic length scales,temperature control within integrated photonic devices, and solid-state laser refrigeration of quantum materials",1910.02153v1 2019-10-20,A search for heavy-metal stars: abundance analyses of hot subdwarfs with Subaru,"The discovery of extremely zirconium- and lead-rich surfaces amongst a small subgroup of hot subdwarfs has provoked questions pertaining to chemical peculiarity in hot star atmospheres and about their evolutionary origin. With only three known in 2014, a limited search for additional `heavy-metal' subdwarfs was initiated with the Subaru telescope. Five hot subdwarfs having intermediate to high surface enrichment of helium were observed at high-resolution and analyzed for surface properties and abundances. This paper reports the analyses of four of these stars. PG1559+048 and FBS 1749+373, having only intermediate helium enrichment, show strong lines of triply ionized lead. PG1559+048 also shows a strong overabundance of germanium and yttrium. With more helium-rich surfaces, Ton 414 and J17554+5012, do not show evidence of heavy-metal enrichment. This limited survey suggests that extreme enrichment of `heavy metals' by selective radiative levitation in hot subdwarf atmospheres is suppressed if the star is too helium-rich.",1910.08947v1 2019-10-31,Optically unstable phase from ion-ion interactions in an erbium doped crystal,"We demonstrate an optical unstable phase for a laser driven erbium ion ensemble. The transmitted light through an erbium-doped yttrium orthosillicate crystal becomes dynamically unstable when illuminated by a strong continuous-wave laser. Transient net gain was recorded if the light passes the sample twice. The experimental results are understood in the framework of a many-body system interacting with a classical field, where the ion-ion interaction becomes significant as a result of the high erbium concentration. A Bloch-equation model that includes the excitation-induced frequency-shift is introduced to discuss the conditions of the instabilities.",1910.14298v2 2019-12-08,On-chip coherent microwave-to-optical transduction mediated by ytterbium in YVO$_4$,"Optical networks that distribute entanglement among quantum technologies will form a powerful backbone for quantum science but are yet to interface with leading quantum hardware such as superconducting qubits. Consequently, these systems remain isolated because microwave links at room temperature are noisy and lossy. Building connectivity requires interfaces that map quantum information between microwave and optical fields. While preliminary microwave-to-optical (M2O) transducers have been realized, developing efficient, low-noise devices that match superconducting qubit frequencies (gigahertz) and bandwidths (10 kHz - 1 MHz) remains a challenge. Here we demonstrate a proof-of-concept on-chip M2O transducer using $^{171}\mathrm{Yb}^{3+}$-ions in yttrium orthovanadate (YVO) coupled to a nanophotonic waveguide and a microwave transmission line. The device's miniaturization, material, and zero-magnetic-field operation are important advances for rare-earth ion magneto-optical devices. Further integration with high quality factor microwave and optical resonators will enable efficient transduction and create opportunities toward multi-platform quantum networks.",1912.03671v1 2019-12-16,The nature of the photometric variability of HgMn stars: A test of simulated light curves of φ Phe against the TESS data,"The inhomogeneous surface distribution of heavy elements is known to cause periodic light variability of magnetic chemically peculiar stars. It is unclear to what extent the same paradigm applies to mercury-manganese (HgMn) stars. We aim to model the photometric variability of the HgMn star {\phi}Phe using abundance maps obtained from high-resolution spectroscopy and to study how this variability evolves with time. We compute a grid of ATLAS12 model atmospheres and the corresponding SYNSPEC synthetic spectra. Interpolating within this grid and integrating the specific intensity over the visible stellar surface at different rotational phases, we obtain theoretical light curves of the star. We predict the variability of {\phi} Phe in the ultraviolet and in the visible spectral regions with amplitude of the order of millimagnitudes, mainly caused by absorption in lines of yttrium, chromium, and titanium. We also show how this variability is affected by changes of the distribution of the heavy elements over time. The main characteristics of the predicted light variability of {\phi} Phe correspond roughly to the variability of the star observed with the TESS satellite.",1912.07265v1 2020-01-15,Stability and superconductivity of lanthanum and yttrium decahydrides,"Rare-earth hydrides can exhibit high-temperature superconductivity under high pressure. Here, we apply a crystal structure prediction method to the current record-holding $T_c$ material, LaH$_{10}$, and a candidate for even higher $T_c$, YH$_{10}$. We find a pressure-induced phase transition from the experimentally observed cubic LaH$_{10}$ phase to a new hexagonal phase at around 420 GPa. This hexagonal phase could explain experimental observations of hcp impurities in fcc samples. We find that YH$_{10}$ forms similar structures to LaH$_{10}$ and discuss the sensitivity of superconductivity calculations to the computational parameters used.",2001.05305v3 2020-01-31,Sub-Doppler Cooling and Compressed Trapping of YO Molecules at $μ$K Temperatures,"Complex molecular structure demands customized solutions to laser cooling by extending its general set of principles and practices. Yttrium monoxide (YO) has unique intramolecular interactions. The Fermi-contact interaction dominates over the spin-rotation coupling, resulting in two manifolds of closely spaced states, with one of them possessing a negligible Land\'e g-factor. This unique energy level structure favors dual-frequency DC magneto-optical trapping (MOT) and gray molasses cooling (GMC). We report exceptionally robust cooling of YO at 4 $\mu$K over a wide range of laser intensity, detunings (one and two-photon), and magnetic field. The magnetic insensitivity enables the spatial compression of the molecular cloud by alternating GMC and MOT under the continuous operation of the quadrupole magnetic field. A combination of these techniques produces a laser-cooled molecular sample with the highest phase space density in free space.",2002.00056v1 2020-05-27,Demonstration of site-selective angular-resolved absorption spectroscopy of the $^{4}I_{15/2} \rightarrow $$^{4}I_{13/2}$ erbium transition in the monoclinic crystal Y$_2$SiO$_5$,"We study the angular dependence in polarized light of the optical absorption for the Er$^{3+}$ transition $^{4}I_{15/2} \rightarrow $$^{4}I_{13/2}$ in Y$_2$SiO$_5$, revealing thus the associated anisotropy and the orientation of the related absorption principal directions in the dielectric plan perpendicular to the monoclinic axis b. The measurements are performed at low temperature. This allows us to isolate the lowest crystal field levels in the ground and excited states. We spectrally resolve and independently characterize the two yttrium substitution sites in the Y$_2$SiO$_5$ matrix. The absorption tensor components cannot be unambiguously determined yet while only considering the investigated dielectric plane. Still, measurements remarkably demonstrate that this transition of interest well resolved at low temperature is not only a magnetic-dipole allowed transition but indeed a hybrid electric-magnetic transition.",2005.13626v2 2020-08-25,Multifunctional on-chip storage at telecommunication wavelength for quantum networks,"Quantum networks will enable a variety of applications, from secure communication and precision measurements to distributed quantum computing. Storing photonic qubits and controlling their frequency, bandwidth and retrieval time are important functionalities in future optical quantum networks. Here we demonstrate these functions using an ensemble of erbium ions in yttrium orthosilicate coupled to a silicon photonic resonator and controlled via on-chip electrodes. Light in the telecommunication C-band is stored, manipulated and retrieved using a dynamic atomic frequency comb protocol controlled by linear DC Stark shifts of the ion ensemble's transition frequencies. We demonstrate memory time control in a digital fashion in increments of 50 ns, frequency shifting by more than a pulse-width ($\pm39$ MHz), and a bandwidth increase by a factor of three, from 6 MHz to 18 MHz. Using on-chip electrodes, electric fields as high as 3 kV/cm were achieved with a low applied bias of 5 V, making this an appealing platform for rare earth ions, which experience Stark shifts of the order of 10 kHz/(V/cm).",2008.10795v1 2020-09-02,Peculiarities of Abundances of Selected Elements in Metal-Rich Field RR Lyrae Stars,"We use the data of our extended catalog of spectroscopic determinations of elemental abundances in the atmospheres of Galactic-field RR Lyrae type variables to show that metal-rich RR Lyraes ($\rm{[Fe/H]} > -1.0$) have anomalous abundances of some elements. In particular, the relative abundances of scandium, titanium, and yttrium in metal-rich RR Lyrae type variables are lower than the corresponding abundances in field stars of similar metallicity beyond the errors. We discuss the errors of the determination of the abundances of the above elements and point out the fact that no europium, zirconium, and lanthanum abundance determinations are available for metal-rich RR Lyrae type variables. We also analyze various possible causes of the observed peculiarities of the chemical composition of metal-rich RR Lyrae type variables.",2009.00906v1 2020-09-29,Distal edge determination precision for a multi-slat promptgamma camera: a comprehensive simulation and optimization of the detection system,"Multi-slat prompt-gamma camera is a promising tool for range monitoring during proton therapy. We report the results of a comprehensive simulation study analyzing the precision which is possible to reach with this camera in determination of the position of the distal edge of the Bragg peak. For the first time we include simulation of optical photons. The proton beam (single pencil beam, 130 MeV, 10 ns bunch period, total of 10^8 protons) is interacting with a polymethyl methacrylate (PMMA) phantom, which is a cylinder of 200 mm in diameter and length. The prompt gamma rays generated in the phantom are collimated with a multi-slat collimator and detected using a combination of yttrium aluminum perovskite (YAP) scintillators, installed in the collimator apertures, and light sensors. Two scintillator packing schemes, with one and with two scintillator plates per aperture, are considered. The collimator configuration (the septal thickness, aperture and height), resulting in the best precision, is determined using two methods of detector optimization. Precision of 2.1 mm (full width at half maximum) in the edge position determination is demonstrated.",2009.14154v2 2020-11-03,Strongly correlated bistable sublattice and temperature hysteresis of elastic and thermal crystal properties,"It is shown that in crystal lattices with a basis the cooperative behavior of a certain type of atoms performing optical long-wavelength vibrations in a double-well potential of the field of the matrix lattice may lead to the formation of a bistable sublattice. As a result of the interaction of the metastable states of such a sublattice with the vibrational states of the matrix lattice, the elastic and thermal properties of the crystal acquire anomalous, hysteresis-like, temperature curves. The concepts developed in the paper make it possible to obtain a qualitative interpretation, which agrees with the experimental data, of the hysteresis-like temperature dependence of the speed and absorption of ultrasonic waves, the specific heat, and the thermal conductivity in superconducting yttrium and bismuth cuprates.",2011.01594v1 2020-12-11,Local-mean preserving post-processing step for non-negativity enforcement in PET imaging: application to $^{90}$Y-PET,"In a low-statistics PET imaging context, the positive bias in regions of low activity is a burning issue. To overcome this problem, algorithms without the built-in non-negativity constraint may be used. They allow negative voxels in the image to reduce, or even to cancel the bias. However, such algorithms increase the variance and are difficult to interpret, since negative radioactive concentrations have no physical meaning. Here, we propose a post-processing strategy to remove negative intensities while preserving the local mean activities. Our idea is to transfer the negative intensities to neighboring voxels, so that the mean of the image is preserved. The proposed post-processing algorithm solves a linear programming problem with a specific symmetric structure, and the solution can be computed in a very efficient way. Acquired data from an yttrium-90 phantom show that on images produced by a non-constrained algorithm, a much lower variance in the cold area is obtained after the post-processing step.",2012.06432v1 2021-02-03,Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system,"Modern high-performance permanent magnets are made from alloys of rare earth and transition metal elements, and large magnetization is achieved in the alloys with high concentration of transition metals. We applied evolutionary search scheme based on first-principles calculations to the Y-Co-B system and predicted 37 cobalt-rich compounds with high probability of being stable. Focusing on remarkably cobalt-rich compounds, YCo$_{16}$ and YCo$_{20}$, we found that, although they are metastable phases, the phase stability is increased with increase of temperature due to the contribution of vibrational entropy. The magnetization and Curie temperature are higher by 0.22 T and 204 K in YCo$_{16}$ and by 0.29 T and 204 K in YCo$_{20}$ than those of Y$_{2}$Co$_{17}$ which has been well studied as strong magnetic compounds.",2102.02097v1 2021-04-03,Characterization of Er$^{3+}$:YVO$_{4}$ for microwave to optical transduction,"Quantum transduction between microwave and optical frequencies is important for connecting superconducting quantum platforms in a quantum network. Ensembles of rare-earth ions are promising candidates to achieve this conversion due to their collective coherent properties at microwave and optical frequencies. Erbium ions are of particular interest because of their telecom wavelength optical transitions that are compatible with fiber communication networks. Here, we report the optical and electron spin properties of erbium doped yttrium orthovanadate (Er$^{3+}$:YVO$_{4}$), including high-resolution optical spectroscopy, electron paramagnetic resonance studies and an initial demonstration of microwave to optical conversion of classical fields. The highly absorptive optical transitions and narrow ensemble linewidths make Er$^{3+}$:YVO$_{4}$ promising for magneto-optic quantum transduction.",2104.01501v1 2021-04-09,Polarons formation in Bi-deficient BaBiO$_3$,"BaBiO$_3$ is a charged ordered Peierls-like perovskite well known for its superconducting properties upon K or Pb doping. We present a study on the transport and electronic properties of BaBiO$_3$ perovskite with strong Bi-deficiency. We show that it is possible to synthesize BaBiO$_3$ thin layers with Bi-vacancies above 8-10% by depositing an yttrium-stabilized zirconia capping layer. By combining transport measurements with ab initio calculations we propose an scenario where the Bi-vacancies give rise to the formation of polarons and suggest that the electrical transport is dominated by the migration of these polarons trapped at Bi$^{3+}$ sites. Our work shows that cation vacancies engineering -- hardly explored to date -- appears as a promising pathway to tune the electronic and functional properties of perovskites.",2104.04573v1 2021-05-12,Probing Strong Coupling between a Microwave Cavity and a Spin Ensemble with Raman Heterodyne Spectroscopy,"Raman heterodyne spectroscopy is a powerful tool for characterizing the energy and dynamics of spins. The technique uses an optical pump to transfer coherence from a spin transition to an optical transition where the coherent emission is more easily detected. Here Raman heterodyne spectroscopy is used to probe an isotopically purified ensemble of erbium dopants, in a yttrium orthosilicate (Y$_2$SiO$_5$) crystal coupled to a microwave cavity. Because the erbium electron spin transition is strongly coupled to the microwave cavity, we observed Raman heterodyne signals at the resonant frequencies of the hybrid spin-cavity modes (polaritons) rather than the bare erbium spin transition frequency. Using the coupled system, we made saturation recovery measurements of the ground state spin relaxation time T$_1$ = 10$\pm$3 seconds, and also observed Raman heterodyne signals using an excited state spin transition. We discuss the implications of these results for efforts towards converting microwave quantum states to optical quantum states.",2105.05387v1 2021-06-06,Prediction of half-metallicity and spin-gapless semiconducting behavior in the new series of FeCr-based quaternary Heusler alloys: an ab initio study,"This paper presents a detailed investigation of FeCr-based quaternary Heusler alloys. By using ultrasoft pseudopotential, electronic and magnetic properties of the compounds are studied within the framework of Density Functional Theory (DFT) by using the Quantum Espresso package. The thermodynamic, mechanical, and dynamical stability of the compounds is established through the comprehensive study of different mechanical parameters and phonon dispersion curves. The meticulous study of elastic parameters such as bulk, Young's, shear moduli, etc. is done to understand different mechanical properties. The FeCr-based compounds containing also Yttrium are studied to redress the contradictory electronic and magnetic properties observed in the literature. The interesting properties like half-metallicity and spin-gapless semiconducting (SGS) behavior are realized in the compounds under study.",2106.03026v1 2021-07-13,High Phase-Space Density of Laser-Cooled Molecules in an Optical Lattice,"We report laser cooling and trapping of yttrium monoxide (YO) molecules in an optical lattice. We show that gray molasses cooling remains exceptionally efficient for YO molecules inside the lattice with a molecule temperature as low as 6.1(6) $\mu$K. This approach has produced a trapped sample of 1200 molecules, with a peak spatial density of $\sim1.2\times10^{10}$ cm$^{-3}$, and a peak phase-space density of $\sim3.1\times10^{-6}$. By adiabatically ramping down the lattice depth, we cool the molecules further to 1.0(2) $\mu$K, twenty times colder than previously reported for laser-cooled molecules in a trap.",2107.06422v2 2021-08-11,Optical excitation and probing of the antiferromagnetic modes with non-uniform in-depth distribution in birefringent antiferromagnetic crystals,"Optical pump-probe setups are commonly used for excitation and investigation of the spin dynamics in various types of magnetic materials. However, usually the spatially homogeneous excitation is considered. In the present study we describe an approach for optical excitation of the nonuniform THz spin dynamics and for probing its spatial distribution inside a magnetic crystal. We propose to illuminate a crystal with laser pulses of properly adjusted polarization to benefit from a strong optical birefringence inherent to the crystal. It results in an unusual behavior of the effective magnetic field generated by the pulses due to the inverse Faraday effect and the peculiar sign-changing dependence of the direct Faraday effect inside the crystal. The study is performed exemplary for yttrium orthoferrite crystal although the proposed approach is applicable for various magnetic materials with optical anisotropy.",2108.05443v2 2022-01-29,Vibrational fingerprints of ferroelectric hafnia,"Hafnia (HfO2) is a promising material for emerging chip applications due to its high-k dielectric behaviour, suitability for negative capacitance heterostructures, scalable ferroelectricity, and silicon compatibility. The lattice dynamics along with phononic properties such as thermal conductivity, contraction, and heat capacity are under-explored, primarily due to the absence of high quality single crystals. Herein, we report the vibrational properties of a series of HfO2 crystals stabilized with yttrium (chemical formula HfO2:xY, where x = 20, 12, 11, 8, and 0%) and compare our findings with a symmetry analysis and lattice dynamics calculations. We untangle the effects of Y by testing our calculations against the measured Raman and infrared spectra of the cubic, antipolar orthorhombic, and monoclinic phases and then proceed to reveal the signature modes of polar orthorhombic hafnia. This work provides a spectroscopic fingerprint for several different phases of HfO2 and paves the way for an analysis of mode contributions to high-k dielectric and ferroelectric properties for chip technologies.",2201.12643v1 2022-06-22,An improved smart meta-superconductor MgB2,"Increasing and improving the critical transition temperature (Tc), current density (Jc) and Meissner effect (Hc) of conventional superconductors are the most important problems in superconductivity research, but progress has been slow for many years. In this study, by introducing the p-n junction electroluminescent inhomogeneous phase with red wavelength to realize energy injection, we found the improved property of smart meta-superconductors MgB2, the critical transition temperature Tc increases by 0.8K, the current density Jc increases by 37%, and the diamagnetism of Meissner effect Hc also significantly improved, compared with pure MgB2. Compared with previous yttrium oxide inhomogeneous phase, p-n junction has higher luminescence intensity, longer stable life and simpler external field requirements. The coupling between superconducting electrons and surface plasmon polaritons may be explain this phenomenon. The realization of smart meta-superconductor by this electroluminescent inhomogeneous phase provides a new way to improve the performance of superconductors.",2206.10940v1 2022-07-05,Proposal for spin squeezing in rare-earth ion-doped crystals with a four-color scheme,"Achieving spin squeezing within solid-state devices is a long standing research goal, due to the promise of their particularities, for instance their long coherence times, the possibility of low-temperature experiments or integration of entanglement-assisted sensors on-chip. In this work, we investigate an interferometer-free four-color scheme to achieve spin squeezing of rare-earth ion-doped crystals. The proposal relies on an analytic derivation that starts from a Tavis-Cummings model for light-matter interaction, providing microscopic insights onto spin-squeezing generation. We evidence spin squeezing signature in the light intensity variance. We consider the two particular cases of europium- and praseodymium-doped yttrium orthosilicates, workhorses of quantum technology developments. We show that up to 8 dB of spin squeezing can be obtained with readily accessible experimental resources, including noise due to photon scattering. Our results for rare-earth ion-doped crystals add to promising properties of these platforms for manipulating many-body entangled states and for high-precision measurements.",2207.02169v2 2022-08-22,Magnetically Tuned Continuous Transition from Weak to Strong Coupling in Terahertz Magnon Polaritons,"Depending on the relative rates of coupling and dissipation, a light-matter coupled system is either in the weak- or strong-coupling regime. Here, we present a unique system where the coupling rate continuously increases with an externally applied magnetic field while the dissipation rate remains constant, allowing us to monitor a weak-to-strong coupling transition as a function of magnetic field. We observed a Rabi splitting of a terahertz magnon mode in yttrium orthoferrite above a threshold magnetic field of ~14 T. Based on a microscopic theoretical model, we show that with increasing magnetic field the magnons transition into magnon polaritons through an exceptional point, which will open up new opportunities for in situ control of non-Hermitian systems.",2208.10030v1 2022-08-29,Frequency Response Analysis of Backside Illuminated Free-Membrane Type IR Superconducting Bolometer,"The IR response of a backside illuminated type Yttrium Barium Copper Oxide (YBCO) transition-edge bolometer (TEB) in a free-membrane configuration is measured and analyzed. The analysis is based on a comprehensive equivalent circuit model for the bolometer structure considering all the thermal parameters of the device. The detector is made using a 450nm superconductive YBCO thin film grown on about 100 um thick crystalline SrTiO3 (STO) substrate using an optimized low cost Metal Organic Deposition (MOD) technique. The backside illuminated structure provided a basis for freely utilizing different IR absorber materials and structures on the backside of the bolometer in order to get wide band high radiation absorption coefficient for the device, while also avoiding any negative effect of the deposition of the absorber layer on the YBCO thin film properties. The obtained analytical and experimental results for the backside illuminated bolometer were also compared with the results of the previously reported front-side illuminated bolometers.",2208.13711v1 2022-10-08,"Valence and magnetism in $\rm EuPd_3S_4$ and $\rm (Y,La)_xEu_{1-x}Pd_3S_4$","$^{151}$Eu M\""ossbauer spectroscopy shows that yttrium substitution in mixed-valent $\rm EuPd_3S_4$ drives the initial 50:50 mix of Eu$^{3+}$ and Eu$^{2+}$ towards pure Eu$^{2+}$, whereas lanthanum substitution has the opposite effect, but only for substitution levels above 50\%. We find that total valence electron count and chemical pressure effects cannot account for the observed behaviour, however conserving the cell volume provides a consistent description of the changes in the Eu$^{2+}$:Eu$^{3+}$ ratio. Remarkably, lanthanum substitution also leads to a clear transition from static mixed-valent behavior at lower temperatures to dynamic mixed valent behavior at higher temperatures, with the onset temperature monotonically increasing with Eu content and extrapolating to a value of $\sim$340~K for the pure $\rm EuPd_3S_4$ compound. Magnetic order persists at least as far as x=0.875 in both series, despite the drastic reduction in the amount of moment-carrying Eu$^{2+}$ ions.",2210.03860v1 2022-11-04,In-plane anisotropy of electrical transport in Y$_{0.85}$Tb$_{0.15}$Ba$_2$Cu$_3$O$_{7-x}$ films,"We fabricate high-quality c-axis oriented epitaxial YBa$_2$Cu$_3$O$_{7-x}$ films with 15% of yttrium atoms replaced by terbium (YTBCO) and study their electrical properties. The Tb substitution reduces the charge carrier density resulting in increased resistivity and decreased critical current density compared to the pure YBa$_2$Cu$_3$O$_{7-x}$ films. The electrical properties of the YTBCO films show an in-plane anisotropy in both the superconducting and normal state providing evidence for the twin-free film. Unexpectedly, the resistive transition of the bridges also demonstrates the in-plane anisotropy that can be explained within the framework of Tinkham's model of the resistive transition and the Berezinskii-Kosterlitz-Thouless (BKT) model depending on the sample parameters. We consider YTBCO films to be a promising platform for both the fundamental research on the BKT transition in the cuprate superconductors and for the fabrication of devices with high kinetic inductance.",2211.02564v2 2022-12-03,Microstructure Evolution of Solid Oxide Fuel Cell Anodes Characterized by Persistent Homology,"Uncovering microstructure evolution mechanisms that accompany the long-term operation of solid oxide fuel cells is a fundamental challenge in designing a more durable energy system for the future. To date, the study of fuel cell stack degradation has focused mainly on electrochemical performance and, more rarely, on averaged microstructural parameters. Here we show an alternative approach in which an evolution of three-dimensional microstructural features is studied using electron tomography coupled with topological data analysis. The latter produces persistent images of microstructure before and after long-term operation of electrodes. Those images unveil a new insight into the degradation process of three involved phases: nickel, pores, and yttrium-stabilized zirconium.",2212.01576v1 2023-02-02,Superconducting phases of YH9 under pressure,"Yttrium superhydrides has attracted much attention due to their multiple stoichiometries and excellent superconductivities under high pressure. Especially, YH9 have a Tc of 243 K, which is the second highest Tc among all binary hydrides. It exhibits a positive pressure dependence of Tc below 200 GPa, contrary to the results of theoretical prediction. In order to explore the origin of Tc at low pressure, we extensively investigated the crystal structure of YH9 at different pressure, and found a distorted cage structure with a symmetry of Pnma. This phase has the lowest enthalpy at pressure below 220 GPa, and its X-ray diffraction patterns is consistent with experimental data. Most importantly, the pressure dependence of Tc in phase Pnma is in line with the experimental results. Further calculations show the structural distortion strongly affect the lattice vibration and electron-phonon coupling, leads to the Pnma phase exhibiting a positive pressure dependence of Tc.",2302.01122v2 2023-06-26,Discovery of a 760 nm P Cygni line in AT2017gfo: Identification of yttrium in the kilonova photosphere,"Neutron star mergers are believed to be a major cosmological source of rapid neutron-capture elements. The kilonovae associated with neutron star mergers have to date yielded only a single well-identified spectral signature: the P Cygni line of Sr$^+$ at about 1$\mu$m in the spectra of the optical transient, AT2017gfo. Such P Cygni lines are important, because they provide significant information not just potentially on the elemental composition of the merger ejecta, but also on the velocity, geometry, and abundance stratification of the explosion. In this paper we show evidence for a previously unrecognised P Cygni line in the spectra of AT2017gfo that emerges several days after the explosion, located at $\lambda \approx 760\,$nm. We show that the feature is well-reproduced by 4d$^2$-4d5p transitions of Y$^+$, which have a weighted mean wavelength around 760-770 nm, with the most prominent line at 788.19 nm. While the observed line is weaker than the Sr$^+$ feature, the velocity stratification of the new line provides an independent constraint on the expansion rate of the ejecta similar to the constraints from Sr$^+$.",2306.14942v1 2023-09-25,Simultaneous High-Speed and Low-Dose 4-D STEM Using Compressive Sensing Techniques,"Here we show that compressive sensing allow 4-dimensional (4-D) STEM data to be obtained and accurately reconstructed with both high-speed and low fluence. The methodology needed to achieve these results compared to conventional 4-D approaches requires only that a random subset of probe locations is acquired from the typical regular scanning grid, which immediately generates both higher speed and the lower fluence experimentally. We also consider downsampling of the detector, showing that oversampling is inherent within convergent beam electron diffraction (CBED) patterns, and that detector downsampling does not reduce precision but allows faster experimental data acquisition. Analysis of an experimental atomic resolution yttrium silicide data-set shows that it is possible to recover over 25dB peak signal-to-noise in the recovered phase using 0.3% of the total data.",2309.14055v3 2023-10-10,Optical assembly of nanostructures mediated by surface roughness,"Rigorous understanding of the self-assembly of colloidal nanocrystals is crucial to the development of tailored nanostructured materials. Despite extensive studies, a mechanistic understanding of self-assembly under non-equilibrium driven by an external field remains an ongoing challenge. We demonstrate self-assembly by optical tweezers imposing an external attractive field for cubic-phase sodium yttrium fluoride nanocrystals. We show that surface roughness of the nanocrystals is a decisive factor for contact leading to assembly between the nanocrystals, manifested by the roughness-dependent hydrodynamic resistivity. This provides direct evidence that dynamics are equally important to energetics in understanding self-assembly. These results have implications in a wide variety of different fields, such as in understanding the factors that mediate oriented attachment-based crystal growth or in interpreting the structure of binding sites on viruses.",2310.06774v1 2023-11-28,Spectral Multiplexing of Rare-earth Emitters in a Co-doped Crystalline Membrane,"The spectral addressing of many individual rare-earth dopants in optical resonators offers great potential for realizing distributed quantum information processors. To this end, it is required to understand and control the spectral properties of the emitters in micron-scale devices. Here, erbium emitters are investigated in a Fabry-Perot resonator which contains a ten-micrometer-thin membrane of crystalline yttrium orthosilicate that is co-doped with europium. The co-doping allows for tailoring the inhomogeneous distribution of the emitter frequency, which enables high-fidelity spectral multiplexing of more than 360 qubits with Purcell factors exceeding 35. At the same time, the optical coherence is preserved up to 0.62(3) ms under dynamical decoupling. Without decoupling, the coherence still reaches the lifetime limit for the emitters with the strongest Purcell enhancement that leads up to a 110-fold lifetime reduction, down to 0.104(9) ms. Future work may combine this with long-lived nuclear spin memories, which makes the investigated co-doped membranes a promising platform for quantum repeaters and distributed quantum computers.",2311.16875v2 2024-01-21,Levitodynamic spectroscopy for single nanoparticle characterisation,"Fast detection and characterization of single nanoparticles such as viruses, airborne aerosols and colloidal particles are considered to be particularly important for medical applications, material science and atmospheric physics. In particular, non-intrusive optical characterization, which can be carried out in isolation from other particles, and without the deleterious effects of a substrate or solvent, is seen to be particularly important. Optical characterization via the scattering of light does not require complicated sample preparation and can in principle be carried out in-situ. We describe the characterization of single nanoparticle shape based on the measurement of their rotational and oscillatory motion when optically levitated within vacuum. Using colloidally grown yttrium lithium fluoride nanocrystals of different sizes, trapped in a single-beam optical tweezer, we demonstrate the utility of this method which is in good agreement with simulations of the dynamics. Size differences as small as a few nanometers could be resolved using this technique offering a new optical spectroscopic tool for non-contact characterization of single nanoparticles in the absence of a substrate.",2401.11551v1 2024-02-04,High temperature deformation mechanisms in monolithic 3YTZP and 3YTZP containing single wall carbon nanotubes,"Monolithic 3YTZP and 3YTZP containing 2.5 vol.% of single-walled carbon nanotubes (SWCNT) were fabricated by Spark Plasma Sintering (SPS) at 1250 C. Microstructural characterization of the as-fabricated 3YTZP/SWCNTs composite shows a homogeneous CNTs dispersion throughout of ceramic matrix. The specimens have been crept at temperatures between 1100 and 1200 C in order to investigate the influence of the SWCNTs addition on high temperature deformation mechanisms in zirconia. Slightly higher stress exponent values are found for 3YTZP/SWCNTs nanocomposites (n~2.5) compared to monolithic 3YTZP (n~2.0). However, the activation energy in 3YTZP (Q = 715 +- 60 kJ/mol) experiences a reduction of about 25% by the addition of 2.5 vol.% of SWCNTs (Q = 540 +- 40 kJ/mol). Scanning electron microscopy studies indicate that there is no microstructural evolution in crept specimens, and Raman spectroscopy measurements show that SWCNTs preserved their integrity during the creep tests. All these results seem to indicate that the high temperature deformation mechanism is grain boundary sliding (GBS) accommodated by grain-boundary diffusion, which is influenced by yttrium segregation and the presence of SWCNTs at the grain boundary.",2402.06651v1 1998-04-06,Detection of an iron K Emission Line from the LINER NGC 4579,"We present the results of an ASCA observation of the LINER NGC 4579. A point-like X-ray source is detected at the nucleus with a 2-10 keV luminosity of 1.5x10^41 ergs/s assuming a distance of 16.8 Mpc. The X-ray spectrum is represented by a combination of a power-law with a photon index of ~1.7 and soft thermal component with kT~0.9 keV. An iron K emission line is detected at 6.73+/-0.13 keV (rest frame) with an equivalent width of 490 +180/-190 eV and is statistically significant at more than 99.9 % confidence. The line center energy is consistent with Helium-like iron and is significantly higher than 6.4 keV which is expected from fluorescence by ""cold"" (or a lower ionization state of) iron. The iron line profile shows no significant red tail in contrast to Seyfert 1 galaxies although the statistics are limited. The line center energy, equivalent width, and profile are consistent with an origin in an ionized accretion disk. However the large mass accretion rate necessary to ionize the accretion disk is not consistent with the observed luminosity and normal accretion models.",9804054v1 1998-10-01,Compton reflection and iron fluorescence in AGN and GBHCs,"Any cold, optically-thick matter in the vicinity of an accreting black hole, such as the accretion disk, can intercept and reprocess some fraction of the hard X-ray continuum emission, thereby imprinting atomic features into the observed spectrum. This process of `X-ray reflection' primarily gives rise to a broad reflection `hump' peaking at 30keV and an iron emission line at 6.4keV. In this review, I briefly describe the physics of this process before reviewing the observations of these features in active galactic nuclei (AGN) and Galactic black hole candidates (GBHCs). In some AGN, Seyfert galaxies in particular, the iron line is found to be very broad and asymmetric. It is believed that such lines arise from the innermost regions of the accretion disk, with mildly-relativistic Doppler shifts and gravitational redshifts combining to produce the line profile. Hence, such lines give us a direct observational probe of the region within several gravitational radii of the black hole. The complications that plague similar studies of GBHCs, such as disk ionization and the possibly of inner disk disruption, are also addressed. I conclude with a discussion of iron line reverberation, i.e. temporal changes of the iron line as `echos' of large X-ray flares sweep across the accretion disk. It is shown that interesting reverberation effects, such as a definitive signature of extremal Kerr geometry, is within reach of high throughput spectrometers such as Constellation-X.",9810018v1 2000-10-24,XMM-Newton observation of an unusual iron line in the quasar Markarian 205,"XMM-Newton observations of the low luminosity, radio-quiet quasar Markarian 205 have revealed a unique iron K emission line profile. In marked contrast to the broad and redshifted iron K line commonly seen in ASCA observations of Seyfert 1 galaxies, we find that a substantial amount of the line flux in Mrk 205 occurs above the neutral line energy of 6.4 keV. Furthermore, we find that the iron line emission has two distinct components, a narrow, unresolved neutral line at 6.4 keV and a broadened line centred at 6.7 keV. We suggest that the most likely origin of the 6.7 keV line is from X-ray reflection off the surface of a highly ionised accretion disk, whilst the 6.4 keV component may arise from neutral matter distant from the black hole, quite possibly in the putative molecular torus. Overall this observation underlines the potential of XMM-Newton for using the iron K line as a diagnostic of matter in the innermost regions of AGN.",0010490v1 2001-11-02,Spectroscopic Signatures of Convection in the Spectrum of Procyon. Fundamental Parameters and Iron Abundance,"We have observed the spectrum of Procyon A (F5IV) from 4559 to 5780 A with a S/N of ~ 1e3 and a resolving power of 2e5. We have measured the line bisectors and relative line shifts of a large number of Fe I and Fe II lines, comparing them to those found in the Sun. A three-dimensional(3D) hydrodynamical model atmosphere has been computed and is tested against observations. The model reproduces in detail most of the features observed, although we identify some room for improvement. At all levels, the comparison of the 3D time-dependent calculations with the observed spectral lines shows a much better agreement than for classical homogeneous models, making it possible to refine previous estimates of the iron abundance, the projected rotational velocity, the limb-darkening, and the systemic velocity of the Procyon binary system. The difference between the iron abundance determined with the 3D model and its 1D counterpart is <~ 0.05 dex. We find consistency between the iron abundance derived from Fe I and Fe II lines, suggesting that departures from LTE in the formation of the studied lines are relatively small. The scatter in the iron abundance determined from different lines still exceeds the expectations from the uncertainties in the atomic data, pointing out that one or more components in the modeling can be refined further.",0111055v1 2002-01-09,Dust and the spectral energy distribution of the OH/IR star OH 127.8+0.0: Evidence for circumstellar metallic iron,"We present a fit to the spectral energy distribution of OH 127.8+0.0, a typical asymptotic giant branch star with an optically thick circumstellar dust shell. The fit to the dust spectrum is achieved using non-spherical grains consisting of metallic iron, amorphous and crystalline silicates and water ice. Previous similar attempts have not resulted in a satisfactory fit to the observed spectral energy distributions, mainly because of an apparent lack of opacity in the 3--8 micron region of the spectrum. Non-spherical metallic iron grains provide an identification for the missing source of opacity in the near-infrared. Using the derived dust composition, we have calculated spectra for a range of mass-loss rates in order to perform a consistency check by comparison with other evolved stars. The L-[12 micron] colours of these models correctly predict the mass-loss rate of a sample of AGB stars, strengthening our conclusion that the metallic iron grains dominate the near-infrared flux. We discuss a formation mechanism for non-spherical metallic iron grains.",0201128v1 2002-04-09,Short Timescale Correlations Between Line and Continuum Fluxes in Cygnus X-1,"We present the results of 16-s time scale spectral fits for Cygnus X-1 in the soft state and in the transition state, using a Comptonised blackbody plus an iron line. On these timescales, we find that that the continuum source flux can vary by factors 2-3 and that the iron line intensity appears to track these changes well, i.e., the inferred equivalent width of the line remains constant to within the errors. We also find no significant changes in the seed (blackbody) photon temperature, while the properties of the Comptonising corona clearly do vary, with the spectral hardness and flux generally being correlated. The corona therefore seems to be the overall driver for the rapid timescale variability observed in the soft and transition states. These results are consistent with the Fourier resolved spectroscopy results of Gilfanov et al. (2000) that indicate the iron line shows rapid flux variations while the blackbody component does not and suggest that the iron line flux in fact tracks continuum changes down to very short timescales. We extend this work by showing that not only the variability amplitudes, but also the {\it phases} of the iron line and continuum components are identical. We note that the short timescale variability properties of the soft and transition states are actually not very different from those of the hard state, suggesting that the corona is the main cause of rapid variability in that state too, and hence that the mechanism responsible for the corona is similar in all three states.",0204160v2 2002-10-11,Iron abundances and heating of the ICM in hydrodynamical simulations of galaxy clusters,"Results from a large set of hydrodynamical SPH simulations of galaxy clusters in a flat LCDM cosmology are used to investigate the metal enrichment and heating of the ICM. The physical modeling of the gas includes radiative cooling, star formation, energy feedback and metal enrichment that follow from the explosions of SNe of type II and Ia. The metallicity dependence of the cooling function is also taken into account. For a fiducial set of model prescriptions the results indicate radial iron profiles in broad agreement with observations; global iron abundances are also consistent with data. It is found that the iron distribution in the ICM is critically dependent on the shape of the metal deposition profile. For low temperatu re clusters simulations yield iron abundances below the allowed observational range, unless it is introduced a minimum diffusion length of metals in the ICM. The simulated emission-weighted radial temperature profiles are in good agreement with data for cooling flow clusters, but at very small distances from the cluster centres ($\sim 2%$ of the virial radii) the temperatures are a factor $\sim$ two higher than the measured spectral values. The luminosity-temperature relation is in excellent agreement with the data, cool clusters ($T_X\sim 1keV$) have a core excess entropy of $\sim 200 keVcm^2$ and their X-ray properties are unaffected by the amount of feedback energy that has heated the ICM. The fraction of hot gas $f_g$ at the virial radius increases with $T_X$ and the distribution obtained from the simulated cluster sample is consistent with the observational ranges.",0210263v2 2003-07-12,Early star formation traced by the highest redshift quasars,"The iron abundance relative to alpha-elements in the circumnuclear region of quasars is regarded as a clock of the star formation history and, more specifically, of the enrichment by SNIa. We investigate the iron abundance in a sample of 22 quasars in the redshift range 3.06. We also detect a population of weak iron emitters at z~4.5, which are possibly hosted in systems that evolved more slowly. Alternatively, the trend of the FeII/MgII ratio at high redshift may reflect significantly different physical conditions of the circumnuclear gas in such high redshift quasars.",0307264v2 2003-07-16,Abundance Analysis of Planetary Host Stars I. Differential Iron Abundances,"We present atmospheric parameters and iron abundances derived from high-resolution spectra for three samples of dwarf stars: stars which are known to host close-in giant planets (CGP), stars for which radial velocity data exclude the presence of a close-in giant planetary companion (no-CGP), as well as a random sample of dwarfs with a spectral type and magnitude distribution similar to that of the planetary host stars (control). All stars have been observed with the same instrument and have been analyzed using the same model atmospheres, atomic data and equivalent width modeling program. Abundances have been derived differentially to the Sun, using a solar spectrum obtained with Callisto as the reflector with the same instrumentation. We find that the iron abundances of CGP dwarfs are on average by 0.22 dex greater than that of no-CGP dwarfs. The iron abundance distributions of both the CGP and no-CGP dwarfs are different than that of the control dwarfs, while the combined iron abundances have a distribution which is very similar to that of the control dwarfs. All four samples (CGP, no-CGP, combined, control) have different effective temperature distributions. We show that metal enrichment occurs only for CGP dwarfs with temperatures just below solar and approximately 300 K higher than solar, whereas the abundance difference is insignificant at Teff around 6000 K.",0307321v1 2004-02-06,A Two-Dimensional Hydrostatically Equilibrium Atmosphere of a Neutron Star with Given Differential Rotation,"An analytic solution has been found in the Roche approximation for the axially symmetric structure of a hydrostatically equilibrium atmosphere of a neutron star produced by collapse. A hydrodynamic (quasione-dimensional) model for the collapse of a rotating iron core in a massive star gives rise to a heterogeneous rotating protoneutron star with an extended atmosphere composed of matter from the outer part of the iron core with differential rotation (Imshennik and Nadyozhin, 1992). The equation of state of a completely degenerate iron gas with an arbitrary degree of relativity is taken for the atmospheric matter. We construct a family of toroidal model atmospheres with total masses $M \approx 0.1 \div 0.2 M_{\odot}$ and total angular momenta $J \approx (1 \div 5.5) \cdot 10^{49} erg \cdot s$, which are acceptable for the outer part of the collapsed iron core, in accordance with the hydrodynamic model, as a function of constant parameters $\omega_{0} and r_{0}$ of the specified differential rotation law $\Omega = \omega_{0}\exp{\Big[-\frac{(r\sin{\Theta})^{2}}{r_{0}^{2}}\Big]}$ in spherical coordinates. The assumed rotation law is also qualitatively consistent with the hydrodynamic model for the collapse of an iron core.",0402151v1 2005-04-25,A New Model for Iron Emission Lines and Re-Burst in GRB X-Ray Afterglows,"Recently iron emission features have been observed in several X-ray afterglows of GRBs. It is found that the energy obtained from the illuminating continuum which produces the emission lines is much higher than that of the main burst.The observation of SN-GRB association indicates a fallback disk should be formed after the supernovae explosion. The disk is optically thick and advection-dominated and dense. We suggest that the delayed injection energy after the initial main burst, much higher than energy of the main burst, causes the re-burst appearance in GRB afterglow and illuminates the region of the disk surface with $\tau\approx1$($\tau$ is the optical depth for the Thomson scatter ) and produces the iron emission line whose luminosity can be up to $10^{45}$ erg$s^{-1}$. The duration of the iron line emission can be $10^{4}-10^{5}$ s. This model can explain the appearance of re-burst and emission lines in GRB afterglow and disappearance of the iron emission lines, and also can naturally solve the problem of higher energy of the illuminating continuum than that of the main burst. This scenario is different from the models put forward to explain the emission lines before, that can be tested by SWIFT satellite.",0504533v2 2006-05-26,High-Resolution X-ray Spectroscopy of the Interstellar Medium II: Neon and Iron Absorption Edges,"We present high-resolution spectroscopy of the neon K-shell and iron L-shell interstellar absorption edges in nine X-ray binaries using the High Energy Transmission Grating Spectrometer (HETGS) onboard the Chandra X-ray Observatory. We found that the iron absorption is well fit by an experimental determination of the cross-section for metallic iron, although with a slight wavelength shift of ~20 mA. The neon edge region is best fit by a model that includes the neutral neon edge and three Gaussian absorption lines. We identify these lines as due to the 1s-2p transitions from Ne II, Ne III, and Ne IX. As we found in our oxygen edge study, the theoretical predictions for neutral and low-ionization lines all require shifts of ~20 mA to match our data. Combined with our earlier oxygen edge study, we find that a best fit O/Ne ratio of 5.4+/-1.6, consistent with standard interstellar abundances. Our best fit Fe/Ne ratio of 0.20+/-0.03 is significantly lower than the interstellar value. We attribute this difference to iron depletion into dust grains in the interstellar medium. We make the first measurement of the neon ionization fraction in the ISM. We find Ne II/Ne I ~ 0.3 and Ne III/Ne I ~ 0.07. These values are larger than is expected given the measured ionization of interstellar helium. For Ne IX, our results confirm the detection of the hot ionized interstellar medium of the Galaxy.",0605674v1 2007-06-21,The nature of the fluorescent iron line in V 1486 Ori,"The fluorescent 6.4 keV iron line provides information on cool material in the vicinity of hard X-ray sources as well as on the characteristics of the X-ray sources themselves. First discovered in the X-ray spectra of the flaring Sun, X-ray binaries and active galactic nuclei (AGN), the fluorescent line was also observed in a number of stellar X-ray sources. The young stellar object (YSO) V1486 Ori was observed in the framework of the Chandra Ultra Deep Project (COUP) as the source COUP 331. We investigate its spectrum, with emphasis on the strength and time variability of the fluorescent iron K-alpha line, derive and analyze the light curve of COUP 331 and proceed with a time-resolved spectral analysis of the observation. The light curve of V 1486 Ori shows two major flares, the first one lasting for (approx) 20 ks with a peak X-ray luminosity of 2.6*10^{32} erg/s (dereddened in the 1-10 keV band) and the second one -- only partially observed -- for >60 ks with an average X-ray luminosity of 2.4*10^{31} erg/s (dereddened). The spectrum of the first flare is very well described by an absorbed thermal model at high temperature, with a pronounced 6.7 keV iron line complex, but without any fluorescent K-alpha line. The X-ray spectrum of the second flare is characterized by even higher temperatures (>= 10 keV) without any detectable 6.7 keV Fe XXV feature, but with a very strong fluorescent iron K-alpha line appearing predominantly in the 20 ks rise phase of the flare. Preliminary model calculations indicate that photoionization is unlikely to account for the entire fluorescent emission during the rise phase.",0706.3097v1 2007-10-04,New Insights on Interstellar Gas-Phase Iron,"In this paper, we report on the gas-phase abundance of singly-ionized iron (Fe II) for 51 lines of sight, using data from the Far Ultraviolet Spectroscopic Explorer (FUSE). Fe II column densities are derived by measuring the equivalent widths of several ultraviolet absorption lines and subsequently fitting those to a curve of growth. Our derivation of Fe II column densities and abundances creates the largest sample of iron abundances in moderately- to highly-reddened lines of sight explored with FUSE, lines of sight that are on average more reddened than lines of sight in previous Copernicus studies. We present three major results. First, we observe the well-established correlation between iron depletion and and also find trends between iron depletion and other line of sight parameters (e.g. f(H_2), E_(B-V), and A_V), and examine the significance of these trends. Of note, a few of our lines of sight probe larger densities than previously explored and we do not see significantly enhanced depletion effects. Second, we present two detections of an extremely weak Fe II line at 1901.773 A in the archival STIS spectra of two lines of sight (HD 24534 and HD 93222). We compare these detections to the column densities derived through FUSE spectra and comment on the line's f-value and utility for future studies of Fe II. Lastly, we present strong anecdotal evidence that the Fe II f-values derived empirically through FUSE data are more accurate than previous values that have been theoretically calculated, with the probable exception of f_1112.",0710.1062v1 2008-06-20,Bandwidth and Fermi surface of Iron-Oxypnictides: covalency and sensitivity to structural changes,"Some important aspects of the electronic structure of the iron oxypnictides depend very sensitively on small changes in interatomic distances and bond angles within the iron-pnictogen subunit. Using first-principles full-potential electronic structure calculations, we investigate this sensitive dependence, contrasting in particular LaOFeAs and LaOFeP. The width of the Fe-bands is significantly larger for LaOFeP, indicating a better metal and weaker electronic correlations. When calculated at their experimental crystal structure these two materials have significantly different low-energy band structure. The topology of the Fermi surface changes when going from LaOFeP to LaOFeAs, with a three-dimensional hole pocket present in the former case transforming into a tube with two-dimensional dispersion. We show that the low-energy band structure of LaOFeAs evolves towards that of LaOFeP as the As atom is lowered closer to the Fe plane with respect to its experimental position. The physical origin of this sensitivity to the iron-pnictogen distance is the covalency of the iron-pnictogen bond, leading to strong hybridization effects. To illustrate this, we construct Wannier functions, which are found to have a large spatial extension when the energy window is restricted to the bands with dominant iron character. Finally, we show that the Fe bandwidth slightly increases as one moves along the rare-earth series in ReOFeAs and discuss the physical origin of this effect.",0806.3285v1 2008-07-24,The Unprecedented Giant Coupling of Fe-spin State and the As-As Hybridization in Iron-Pnictide,"From first principles calculations we unravel surprisingly strong interactions between arsenic ions in iron-pnictides, the strength of which is controlled by the Fe-spin state. Reducing the Fe-magnetic moment, weakens the Fe-As bonding, and in turn, increases As-As interactions, causing giant reduction in the c-axis. For CaFe$_2$As$_2$ system, this reduction is as large as 1.4 \AA. Since the large c-reduction has been recently observed only under high-pressure\cite{cTphase}, our results suggest that the iron magnetic moment should be present in Fe-pnictides at all times at ambient pressure. Finally, the conventional electron-phonon coupling in the collapsed phase of CaFe$_2$As$_2$ gives a maximum $T_c$ of 0.6 K and can not explain the $\sim12$ K superconductivity observed in some experiments. Implications of these findings on the mechanism of superconductivity in iron-pnictides are discussed.",0807.3936v3 2008-12-12,Experimental determination of the microscopic origin of magnetism in parent iron pnictides,"Like high Tc cuprates, the newly discovered iron based superconductors lie in close proximity to a magnetically ordered parent phase. However, while the magnetic order in parent cuprates is known to derive from a spin-spin local superexchange interaction, a plethora of experiments including neutron scattering have so far been unable to conclusively resolve whether a local moment Heisenberg description applies in parent iron based compounds, or whether magnetism arises from a collective SDW order instability. These two alternatives can in principle be distinguished by measuring the low energy momentum-resolved bulk-representative electronic structure of the magnetically ordered phase. Using a combination of polarization dependent ARPES and STM, we have isolated the complete low-lying bulk representative electronic structure of magnetic SrFe2As2 with d-orbital symmetry specificity for the first time. Our results show that while multiple bands with different iron d-orbital character indeed contribute to charge transport, only one pair of bands with opposite mirror symmetries microscopically exhibit an itinerant SDW instability with energy scales on the order of 50 meV. The orbital resolved band topology below T_SDW point uniquely to a nesting driven band hybridization mechanism of the observed antiferromagnetism in the iron pnictides, and is consistent with an unusual anisotropic nodal-density-wave state. In addition, these results place strong constraints on many theories of pnictide superconductivity that require a strict local moment magnetism starting point.",0812.2289v1 2009-01-27,Correlation effects in the iron pnictides,"One of the central questions about the iron pnictides concerns the extent to which their electrons are strongly correlated. Here we address this issue through the phenomenology of the charge transport and dynamics, single-electron excitation spectrum, and magnetic ordering and dynamics. We outline the evidence that the parent compounds, while metallic, have electron interactions that are sufficiently strong to produce incipient Mott physics. In other words, in terms of the strength of electron correlations compared to the kinetic energy, the iron pnictides are closer to intermediately-coupled systems lying at the boundary between itinerancy and localization, such as V2O3 or Se-doped NiS2, rather than to simple antiferromagnetic metals like Cr. This level of electronic correlations produces a new small parameter for controlled theoretical analyses, namely the fraction of the single-electron spectral weight that lies in the coherent part of the excitation spectrum. Using this expansion parameter, we construct the effective low-energy Hamiltonian and discuss its implications for the magnetic order and magnetic quantum criticality. Finally, this approach sharpens the notion of magnetic frustration for such a metallic system, and brings about a multiband matrix t-J1-J2 model for the carrier-doped iron pnictides.",0901.4112v2 2010-09-14,"Comment on ""Isotope effect in multi-band and multi-channel attractive systems and inverse isotope effect in iron-based superconductors"" by T. Yanagisawa, et al","In a recent paper Yanagisawa et al. [1] claim from a theoretical analysis of a multi-channel multi-band superconductor model that an inverse isotope exponent on the superconducting transition temperature Tc can be realized in iron-based superconductors. Simultaneously, a subgroup of the authors of Ref. 1 performed the corresponding isotope effect experiment on (Ba, K)Fe2As2 by investigating the iron isotope exchange effect on Tc [2]. In accordance with their theoretical analysis they indeed report an unusually large sign reversed isotope exponent of {\alpha} \simeq -0.18(3) which is in strong contrast to previous experiments on the nominally same system with the same composition in Ba, K content, namely Ba0.6K0.4Fe2As2 [3], where the exponent was determined to be {\alpha} \simeq 0.37(3). This conflict remains unsolved until now with the exception of Ref. 4 where the iron isotope exponent has been determined for FeSe. In accordance with the results of Ref. 3 a large positive isotope exponent has been seen thus questioning the outcome of Ref. 1 and implicitly the findings of Ref. 2. Here, we do not comment on the controversial experimental situation but address the theoretical analysis of Ref. 1, where a variety of misleading assumptions have led to the conclusion that a sign reversed isotope exponent can be realized in a multi-band and multi-channel attractive model for iron based superconductors.",1009.2590v1 2010-12-23,"Fe-based high temperature superconductivity with Tc=31K bordering an insulating antiferromagnet in (Tl,K)FexSe2 Crystals","Up to now, there have been two material families, the cuprates and the iron-based compounds with high-temperature superconductivity (HTSC). An essential open question is whether the two classes of materials share the same essential physics. In both, superconductivity (SC) emerges when an antiferromagnetical (AFM) ordered phase is suppressed. However, in cuprates, the repulsive interaction among the electrons is so strong that the parent compounds are ""Mott insulators."" By contrast, all iron-based parents are metallic. One perspective is that the iron-based parents are weakly correlated and that the AFM arises from a strong ""nesting"" of the Fermi surfaces. An alternative view is that the electronic correlations in the parents are still sufficiently strong to place the system close to the boundary between itinerancy and electronic localization. A key strategy to differentiate theses views is to explore whether the iron-based system can be tuned into a Mott insulator. Here we identify an insulating AFM in (Tl,K)FexSe2 by introducing Fe-vacancies and creating superconductivity in the Fe-planar. With the increasing Fe-content, the AFM order is reduced. When the magnetism is eliminated, a superconducting phase with Tc as high as 31K (and a Tc onset as high as 40K) is induced. Our findings indicate that the correlation effect plays a crucial role in the iron-based superconductors. (Tl,K)FexSe2, therefore, represents the first Fe-based high temperature superconductor near an insulating AFM.",1012.5236v1 2011-01-17,Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformations,"Iron oxides and oxyhydroxides are challenging to model computationally as competing phases may differ in formation energies by only several kJ/mol, they undergo magnetization transitions with temperature, their structures may contain partially occupied sites or long-range ordering of vacancies, and some loose structures require proper description of weak interactions such as hydrogen bonding and dispersive forces. If structures and transformations are to be reliably predicted under different chemical conditions, each of these challenges must be overcome simultaneously, while preserving a high level of numerical accuracy and physical sophistication. Here we present comparative studies of structure, magnetization, and elasticity properties of iron oxides and oxyhydroxides using density functional theory calculations with plane-wave and locally-confined-atomic-orbital basis sets, which are implemented in VASP and SIESTA packages, respectively. We have selected hematite, maghemite, goethite, lepidocrocite, and magnetite as model systems from a total of 13 known iron oxides and oxyhydroxides; and use same convergence criteria and almost equivalent settings in order to make consistent comparisons. Our results show both basis sets can reproduce the energetic stability and magnetic ordering, and are in agreement with experimental observations. There are advantages to choosing one basis set over the other, depending on the intended focus. In our case, we find the method using PW basis set most appropriate, and combine our results to construct the first phase diagram of iron oxides and oxyhydroxides in the space of competing chemical potentials, generated entirely from first principles",1101.3105v1 2011-08-03,Origin of conductivity cross over in entangled multi-walled carbon nanotube network filled by iron,"A realistic transport model showing the interplay of the hopping transport between the outer shells of iron filled entangled multi-walled carbon nanotubes (MWNT) and the diffusive transport through the inner part of the tubes, as a function of the filling percentage, is developed. This model is based on low-temperature electrical resistivity and magneto-resistance (MR) measurements. The conductivity at low temperatures showed a crossover from Efros-Shklovski (E-S) variable range hopping (VRH) to Mott VRH in 3 dimensions (3D) between the neighboring tubes as the iron weight percentage is increased from 11% to 19% in the MWNTs. The MR in the hopping regime is strongly dependent on temperature as well as magnetic field and shows both positive and negative signs, which are discussed in terms of wave function shrinkage and quantum interference effects, respectively. A further increase of the iron percentage from 19% to 31% gives a conductivity crossover from Mott VRH to 3D weak localization (WL). This change is ascribed to the formation of long iron nanowires at the core of the nanotubes, which yields a long dephasing length (e.g. 30 nm) at the lowest measured temperature. Although the overall transport in this network is described by a 3D WL model, the weak temperature dependence of inelastic scattering length expressed as L_phi ~T^-0.3 suggests the possibility for the presence of one-dimensional channels in the network due to the formation of long Fe nanowires inside the tubes, which might introduce an alignment in the random structure.",1108.0881v1 2011-10-17,Testing the sign-changing superconducting gap in iron-based superconductors with quasiparticle interference and neutron scattering,"We present a phenomenological calculation of the quasiparticle-interference (QPI) pattern and inelastic Neutron scattering (INS) spectra in iron-pnictide and layered iron-selenide compounds by using materials specific band-structure and superconducting (SC) gap properties. As both the QPI and the INS spectra arise due to scattering of the Bogolyubov quasiaprticles, they exibit an one-to-one correspondence of the scattering vectors and the energy scales. We show that these two spectroscopies complement each other in such a way that a comparative study allows one to extract the quantitative and unambiguous information about the underlying pairing structure and the phase of the SC gap. Due to the nodeless and isotropic nature of the SC gaps, both the QPI and INS maps are concentrated at only two energies in pnictide (two SC gaps) and one energy in iron-selenide, while the associated scattering vectors q for scattering of sign-changing and same-sign of the SC gaps change between these spectroscopies. The results presented, particularly for newly iron-selenide compounds, can be used to test the nodeless d-wave pairing in this class of high temperature superconductors.",1110.3834v2 2012-02-27,$S_4$ Symmetric Microscopic Model for Iron-Based Superconductors,"Although iron-based superconductors are multi-orbital systems with complicated band structures, we demonstrate that the low energy physics which is responsible for high-$T_c$ superconductivity is essentially governed by one effective Hamiltonianwith two almost decoupled orbitals near half filling. This underlining electronic structure is protected by the $S_4$ symmetry. With repulsive or strong next nearest neighbor antiferromagnetic exchange interactions, each single-orbital effective Hamiltonian results in a robust $A_{1g}$ s-wave pairing which can be exactly mapped to the d-wave pairing observed in cuprates. The classification of the superconducting(SC) states according to the $S_4$ symmetry leads to a natural prediction of the existence of two different phases named A and B phases. In the B phase, the superconducting order has an overall sign change along c-axis between the top and bottom As(Se) planes in a single Fe-(As)Se trilayer structure, which is an analogy of the sign change under the $90^\circ$ degree rotation in the d-wave SC state of cuprates. Our derivation provides a unified understanding of iron-pnictides and iron-chalcogenides, and suggests that cuprates and iron-based superconductors share identical high-$T_c$ superconducting mechanism.",1202.5881v5 2012-04-24,Microstructural analysis of phase separation in iron chalcogenide superconductors,"The interplay between superconductivity, magnetism and crystal structure in iron-based superconductors is a topic of great interest amongst the condensed matter physics community as it is thought to be the key to understanding the mechanisms responsible for high temperature superconductivity. Alkali metal doped iron chalcogenide superconductors exhibit several unique characteristics which are not found in other iron-based superconducting materials such as antiferromagnetic ordering at room temperature, the presence of ordered iron vacancies and high resistivity normal state properties. Detailed microstructural analysis is essential in order to understand the origin of these unusual properties. Here we have used a range of complementary scanning electron microscope based techniques, including high-resolution electron backscatter di raction mapping, to assess local variations in composition and lattice parameter with high precision and sub-micron spatial resolution. Phase separation is observed in the Csx Fe2-ySe2 crystals, with the minor phase distributed in a plate-like morphology throughout the crystal. Our results are consistent with superconductivity occurring only in the minority phase.",1204.5472v4 2012-04-25,A Monte Carlo Markov Chain based investigation of black hole spin in the active galaxy NGC3783,"The analysis of relativistically broadened X-ray spectral features from the inner accretion disk provides a powerful tool for measuring the spin of supermassive black holes (SMBH) in active galactic nuclei (AGN). However, AGN spectra are often complex and careful analysis employing appropriate and self-consistent models are required if one is to obtain robust results. In this paper, we revisit the deep July-2009 Suzaku observation of the Seyfert galaxy NGC3783 in order to study in a rigorous manner the robustness of the inferred black hole spin parameter. Using Monte Carlo Markov Chain (MCMC) techniques, we identify a (partial) modeling degeneracy between the iron abundance of the disk and the black hole spin parameter. We show that the data for NGC3783 strongly require both supersolar iron abundance (Z_Fe=2-4Zsun) and a rapidly spinning black hole (a>0.88). We discuss various astrophysical considerations that can affect the measured abundance. We note that, while the abundance enhancement inferred in NGC3783 is modest, the X-ray analysis of some other objects has found extreme iron abundances. We introduce the hypothesis that the radiative levitation of iron ions in the innermost regions of radiation-dominated AGN disks can enhance the photospheric abundance of iron. We show that radiative levitation is a plausible mechanism in the very inner regions of high accretion rate AGN disks.",1204.5747v2 2012-09-19,Orbital and spin magnetic moments of transforming 1D iron inside metallic and semiconducting carbon nanotubes,"The orbital and spin magnetic properties of iron inside transforming metallic and semiconducting 1D carbon nanotube hybrids are studied by means of local x-ray magnetic circular dichroism (XMCD) and bulk superconducting quantum interference device (SQUID) measurements. Nanotube hybrids are initially ferrocene filled single-walled carbon nanotubes (SWCNT) of different metallicities. After a high temperature nanochemical reaction ferrocene molecules react with each other to form iron nano clusters. We show that the ferrocenes molecular orbitals interact differently with the SWCNT of different metallicities without significant XMCD response. This XMCD at various temperatures and magnetic fields reveals that the orbital and/or spin magnetic moments of the encapsulated iron are altered drastically as the transformation to 1D Fe nanoclusters takes place. The orbital and spin magnetic moments are both found to be larger in filled semiconducting nanotubes than in the metallic sample. This could mean that the magnetic polarizations of the encapsulated material is dependent on the metallicity of the tubes. From a comparison between the iron 3d magnetic moments and the bulk magnetism measured by SQUID, we conclude that the delocalized magnetisms dictate the magnetic properties of these 1D hybrid nanostructures.",1209.4265v1 2013-03-12,Démixtion et ségrégation superficielle dans les alliages fer-chrome,"Ferritic steels possibly strengthened by oxide dispersion are candidates as structural materials for generation IV and fusion nuclear reactors. Their use is limited by incomplete knowledge of the iron-chromium phase diagram at low temperatures and of the phenomena inducing preferential segregation of one element at grain boundaries or at surfaces. In this context, this work contributes to the multi-scale study of the model iron-chromium alloy and their free surfaces by numerical simulations. This study begins with ab initio calculations of properties related to the mixture of atoms of iron and chromium. We highlight complex dependency of the magnetic moments of the chromium atoms on their local chemical environment. Surface properties are also proving sensitive to magnetism. This is the case of impurity segregation of chromium in iron and of their interactions near the surface. In a second step, we construct a simple energy model for high numerical efficiency. It is based on pair interactions on a rigid lattice to which are given local chemical environment and temperature dependencies. With this model, we reproduce the ab initio results at zero temperature and experimental results at high temperature. We also deduce the solubility limits at all intermediate temperatures with mean field approximations that we compare to Monte Carlo simulations. The last step of our work is to introduce free surfaces in our model. We then study the effect of ab initio calculated bulk and surface properties on surface segregation. Finally, we calculate segregation isotherms. We therefore propose an evolution model of surface composition of iron-chromium alloys as a function of bulk composition.",1303.2938v1 2013-03-29,A magnetic origin for high temperature superconductivity in iron pnictides,"In conventional Bardeen-Cooper-Schrieffer (BCS) superconductors, superconductivity occurs when electrons form coherent Cooper pairs below the superconducting transition temperature Tc. Although the kinetic energy of paired electrons increases in the superconducting state relative to the normal state, the reduction in the ion lattice energy is sufficient to give the superconducting condensation energy. For iron pnictide superconductors derived from electron or hole doping of their antiferromagnetic (AF) parent compounds, the microscopic origin for supercnductivity is unclear. Here we use neutron scattering to show that high-Tc superconductivity only occurs for iron pnictides with low-energy itinerant electron-spin excitation coupling and high energy spin excitations. Since our absolute spin susceptibility measurements for optimally hole-doped iron pnictide reveal that the change in magnetic exchange energy below and above Tc can account for the superconducting condensation energy, we conclude that the presence of both high-energy spin excitations giving rise to a large magnetic exchange coupling J and low-energy spin excitations coupled to the itinerant electrons is essential for high-Tc superconductivity in iron pnictides.",1303.7339v1 2013-05-03,Photophoretic separation of metals and silicates: the formation of Mercury like planets and metal depletion in chondrites,"Mercury's high uncompressed mass density suggests that the planet is largely composed of iron, either bound within metal (mainly Fe-Ni), or iron sulfide. Recent results from the MESSENGER mission to Mercury imply a low temperature history of the planet which questions the standard formation models of impact mantle stripping or evaporation to explain the high metal content. Like Mercury, the two smallest extrasolar rocky planets with mass and size determination, CoRoT-7b and Kepler-10b, were found to be of high density. As they orbit close to their host stars this indicates that iron rich inner planets might not be a nuisance of the solar system but be part of a general scheme of planet formation. From undifferentiated chondrites it is also known that the metal to silicate ratio is highly variable which must be ascribed to pre-planetary fractionation processes. Due to this fractionation most chondritic parent bodies - most of them originated in the asteroid belt - are depleted in iron relative to average solar system abundances. The astrophysical processes leading to metal silicate fractionation in the solar nebula are essentially unknown. Here, we consider photophoretic forces. As these forces particularly act on irradiated solids, they might play a significant role for the composition of planetesimals forming at the inner edge of protoplanetary discs. Photophoresis can separate high thermal conductivity materials (iron) from lower thermal conductivity solids (silicate). We suggest that the silicates are preferentially pushed into the optical thick disk. Subsequent planetesimal formation at the edge moving outwards leads to metal rich planetesimals close to the star and metal depleted planetesimals further out in the nebula.",1305.0689v1 2013-07-03,Galactic Constraints on Supernova Progenitor Models,"We undertake a statistical analysis of the radial abundance distributions in the Galactic disk within a theoretical framework for Galactic chemical evolution which incorporates the influence of spiral arms. 1) The mean mass of oxygen ejected per core-collapse SNe (CC SNe) event (which are concentrated within spiral arms) is $\sim$0.27 M$_{\odot}$; 2) the mean mass of iron ejected by `tardy' Type Ia SNe (SNeIa; progenitors of whom are older/longer-lived stars with ages $\simgt$100 Myr and up to several Gyr, which do not concentrate within spiral arms) is $\sim$0.58 M$_{\odot}$; 3) the upper mass of iron ejected by prompt SNeIa (SNe whose progenitors are younger/shorter-lived stars with ages $\simlt$100 Myr, which are concentrated within spiral arms) is $\leq$0.23 M$_{\odot}$ per event; 4) the corresponding mean mass of iron produced by CC SNe is $\leq$0.04 M$_{\odot}$ per event; (v) short-lived SNe (core-collapse or prompt SNeIa) supply $\sim$85% of the Galactic disk's iron. The inferred low mean mass of oxygen ejected per CC SNe event implies a low upper mass limit for the corresponding progenitors of $\sim$23 M$_{\odot}$, otherwise the Galactic disk would be overabundant in oxygen. The low mean mass of iron ejected by prompt SNeIa, relative to the mass produced by tardy SNeIa ($\sim$2.5 times lower), prejudices the idea that both sub-populations of SNeIa have the same physical nature. We suggest that, perhaps, prompt SNeIa are more akin to CC SNe, and discuss the implications of such a suggestion.",1307.0928v1 2013-09-16,Superconductivity in LiFeO2Fe2Se2 with anti-PbO-type Spacer Layers,"Superconductivity has been found in the iron-arsenides with different structures by alternative stacking of the conducting Fe2As2 layers and spacer layers including alkali- or alkali-earth metal ions and PbO- or perovskite-type oxides blocks. So far, no spacer layer could be intercalated in between the neutral Fe2Se2 layers similar in structure to Fe2As2 layers except for alkali-metal ions in AxFe2-ySe2. The superconducting phase in AxFe2-ySe2 with transition temperature of 32 K is always inter-grown with the insulating phase which exhibits an antiferromagnetic order with extremely high Neel temperature of ~560 K and the order of Fe vacancies. Such inhomogeneity makes the investigation on the underlying physics in AxFe2-ySe2 complicated. Here we report the synthesis of a novel superconductor LiFeO2Fe2Se2 by hydrothermal method, exhibiting superconductivity at ~43 K, in which anti-PbO-type spacer layers of LiFeO2 have been successfully intercalated between anti-PbO-type Fe2Se2 layers. This finding demonstrates that superconductivity can be realized in the iron selenide with a novel spacer layer of anti-PbO-type, which is not found in the iron arsenides, and expands the category of the iron-based superconductors. Such a new synthetic method paves a new way to search for possible novel superconductors with different spacer layers, which is helpful to further study the underlying physics in iron-based high-Tc superconductors.",1309.3833v3 2014-01-24,Effect of correlations and doping on the spin susceptibility of iron pnictides: the case of KFe2As2,"The temperature dependence of the paramagnetic susceptibility of the iron pnictide superconductor KFe2As2 and its connection with the spectral properties of that material is investigated by a combination of density functional theory (DFT) in the local density approximation and dynamical mean-field theory (DMFT). Unlike other iron pnictide parent compounds where the typical oxidation state of iron is 2, the formal valence of Fe in KFe2As2 is 2.5, corresponding to an effective doping with 0.5 hole per iron atom compared to, for example, BaFe2As2. This shifts the chemical potential and thereby reduces the distance between the peaks in the spectral functions of KFe2As2 and the Fermi energy as compared to BaFe2As2. The shift, which is clearly seen on the level of DFT as well as in DMFT, is further enhanced by the strong electronic correlations in KFe2As2. In BaFe2As2 the presence of these peaks results [Phys. Rev. B 86, 125124 (2012)] in a temperature increase of the susceptibility up to a maximum at ~1000 K. While the temperature increase was observed experimentally the decrease at even higher temperatures is outside the range of experimental observability. We predict that in KFe2As2 the situation is different. Namely, the reduction of the distance between the peaks and the Fermi level due to doping is expected to shift the maximum in the susceptibility to much lower temperatures, such that the decrease of the susceptibility should become visible in experiment.",1401.6291v3 2014-02-12,Electric double-layer transistor using layered iron selenide Mott insulator TlFe1.6Se2,"A1-xFe2-ySe2 (A = K, Cs, Rb, Tl) are recently discovered iron-based superconductors with critical temperatures (Tc) ranging up to 32 K. Their parent phases have unique properties when compared with other iron-based superconductors; e.g., their crystal structures include ordered Fe vacancies, their normal states are antiferromagnetic (AFM) insulating phases, and they have extremely high N\'eel transition temperatures. However, control of carrier doping into the parent AFM insulators has been difficult due to their intrinsic phase separation. Here, we fabricated an Fe-vacancy-ordered TlFe1.6Se2 insulating epitaxial film with an atomically flat surface and examined its electrostatic carrier doping using an electric double-layer transistor (EDLT) structure with an ionic liquid gate. The positive gate voltage gave conductance modulation of three orders of magnitude at 25 K, and further induced and manipulated a phase transition; i.e., delocalized carrier generation by electrostatic doping is the origin of the phase transition. This is the first demonstration, to the authors' knowledge, of an EDLT using a Mott insulator iron-selenide channel and opens a way to explore high-Tc superconductivity in iron-based layered materials, where carrier doping by conventional chemical means is difficult.",1402.2767v2 2014-03-24,Discovery of Enhanced Radiative Recombination Continua of He-like Iron and Calcium from IC 443 and Its Implications,"We present deep observations of the Galactic supernova remnant IC 443 with the {\it Suzaku X-ray satellite}. We find prominent K-shell lines from iron and nickel, together with a triangle residual at 8--10~keV, which corresponds to the energy of the radiative recombination continuum (RRC) of He-like iron. In addition, the wavy residuals have been seen at $\sim$5.1 and $\sim$5.5~keV. We confirm that the residuals show the first enhanced RRCs of He- and H-like calcium found in supernova remnants. These facts provide robust evidence for the recombining plasma. We reproduce the plasma in the 3.7--10~keV band using a recombining plasma model at the electron temperature 0.65~keV. The recombination parameter $n_{\rm e}t$ ($n_{\rm e}$ is electron density and $t$ is elapsed time after formation of a recombining plasma) and abundances of iron and nickel are strongly correlated, and hence the errors are large. On the other hand, the ratio of nickel to iron relative to the solar abundances is well constrained to 11$^{+4}_{-3}$ (1$\sigma$). A possibility is that the large abundance ratio is a result of an asymmetric explosion of the progenitor star.",1403.5850v1 2014-04-18,Faint Population III supernovae as the origin of the most iron-poor stars,"The most iron-deficient stars in the Milky Way provide important observational constraints on the nature of astrophysical objects that have enriched the primordial gas with heavy elements from which these stars were formed. Among them, the recently discovered iron-deficient star SMSS J031300.36-670839.3 shows a remarkable chemical composition with non-detection of iron ([Fe/H]$<-7.1$) and large enhancement of carbon and magnesium relative to calcium. We investigate the supernova yields of metal-free (Population III) stars to interpret the observed abundance pattern for this star. We report that the high [C/Ca] and [C/Mg] ratios and upper limits determined for other elemental abundances are well reproduced with the yields of core-collapse supernovae (that have normal kinetic energies of explosion $E$ of $E_{51}=E/10^{51}$erg$=1$) or hypernovae ($E_{51}\geq 10$) of the Population III 25$M_{\odot}$ or 40$M_{\odot}$ stars. The best-fit model assumes that the explosion of the Population III progenitor undergoes extensive matter mixing and fallback, leaving behind a black hole remnant. In these models, Ca is produced by static/explosive O burning and incomplete Si burning in the Population III supernova/hypernova, in contrast to the suggestion that Ca is originated from the hot CNO cycle during the presupernova evolution. Among the five most iron-poor stars with [Fe/H]$<-4.5$, four carbon-enhanced stars are consistent with the faint supernova models with the ejected mass of $^{56}$Ni less than 10$^{-3}M_{\odot}$.",1404.4817v3 2014-04-27,Extraordinary quasiparticle scattering and bandwidth-control by dopants in iron-based superconductors,"The diversities in crystal structures and ways of doping result in extremely diversified phase diagrams for iron-based superconductors. With angle-resolved photoemission spectroscopy (ARPES), we have systematically studied the effects of chemical substitution on the electronic structure of various series of iron-based superconductors. In addition to the control of Fermi surface topology by heterovalent doping, we found two more extraordinary effects of doping: 1. the site and band dependencies of quasiparticle scattering; and more importantly 2. the ubiquitous and significant bandwidth-control by both isovalent and heterovalent dopants in the iron-anion layer. Moreover, we found that the bandwidth-control could be achieved by either applying the chemical pressure or doping electrons, but not by doping holes. Together with other findings provided here, these results complete the microscopic picture of the electronic effects of dopants, which facilitates a unified understanding of the diversified phase diagrams and resolutions to many open issues of various iron-based superconductors.",1404.6716v1 2014-04-28,Relativistic iron K alpha line detection in the Suzaku spectra of IC 4329A,"We present an analysis of five Suzaku observations of the bright Seyfert1 galaxy IC 4329A. The broad energy band and high signal-to-noise ratio of the data give new constraints on the iron K alpha line profile and its relationship with the Compton hump at higher energies. The Fe K bandpass is dominated by a narrow core (EW=57 eV) at 6.4 keV consistent with neutral material. Using a physically-motivated model, our analysis also reveals the presence of a broad Iron K alpha line (EW=124 eV), most likely produced in the inner part of the accretion disk and blurred by general relativistic effects. This component is not immediately evident from the individual spectra, but is clearly present in the stacked residuals of all five observations, and has high statistical significance. This highlights the difficulty in identifying broad iron lines in AGN, even in data with very high signal-to-noise ratio, as they are difficult to disentangle from the continuum. The data are consistent with the narrow and broad iron line components tracking the Compton Hump, but do not provide clear evidence that this is the case. An additional narrow FeXXVI emission line at 6.94 keV is also seen, suggesting the presence of ionized material relatively distant from the central region. There is also a hint of variability, so the precise origin of this line remains unclear.",1404.7126v1 2014-05-15,"Control and diagnosis of temperature, density, and uniformity in x-ray heated iron/magnesium samples for opacity measurements","Experimental tests are in progress to evaluate the accuracy of the modeled iron opacity at solar interior conditions, in particular to better constrain the solar abundance problem [S. Basu and H.M. Antia, Physics Reports 457, 217 (2008)]. Here we describe measurements addressing three of the key requirements for reliable opacity experiments: control of sample conditions, independent sample condition diagnostics, and verification of sample condition uniformity. The opacity samples consist of iron/magnesium layers tamped by plastic. By changing the plastic thicknesses, we have controlled the iron plasma conditions to reach i) Te=167+/-3 eV and ne=(7.1+/-1.5)e21 e/cc, ii) Te=170+/-2 eV and ne=(2.0+/-0.2)e22 e/cc, and iii) Te=196+/-6 eV and ne=(3.8+/-0.8)e22 e/cc, which were measured by magnesium tracer K-shell spectroscopy. The opacity sample non-uniformity was directly measured by a separate experiment where Al is mixed into the side of the sample facing the radiation source and Mg into the other side. The iron condition was confirmed to be uniform within their measurement uncertainties by Al and Mg K-shell spectroscopy. The conditions are suitable for testing opacity calculations needed for modeling the solar interior, other stars, and high energy density plasmas.",1405.4012v1 2014-07-03,A Clumpy Stellar Wind and Luminosity-Dependent Cyclotron Line Revealed by The First Suzaku Observation of the High-Mass X-ray Binary 4U 1538-522,"We present results from the first Suzaku observation of the high-mass X-ray binary 4U 1538-522. The broad-band spectral coverage of Suzaku allows for a detailed spectral analysis, characterizing the cyclotron resonance scattering feature at $23.0 \pm 0.4$ keV and the iron K$\alpha$ line at $6.426 \pm 0.008$ keV, as well as placing limits on the strengths of the iron K$\beta$ line and the iron K edge. We track the evolution of the spectral parameters both in time and in luminosity, notably finding a significant positive correlation between cyclotron line energy and luminosity. A dip and spike in the lightcurve is shown to be associated with an order-of-magnitude increase in column density along the line of sight, as well as significant variation in the underlying continuum, implying the accretion of a overdense region of a clumpy stellar wind. We also present a phase-resolved analysis, with most spectral parameters of interest showing significant variation with phase. Notably, both the cyclotron line energy and the iron K$\alpha$ line intensity vary significantly with phase, with the iron line intensity significantly out-of-phase with the pulse profile. We discuss the implications of these findings in the context of recent work in the areas of accretion column physics and cyclotron resonance scattering feature formation.",1407.1028v1 2014-12-23,Phase diagram of (Li1-xFex)OHFeSe: a bridge between iron selenide and arsenide superconductors,"Previous experimental results have shown important differences between iron selenide and arsenide superconductors, which seem to suggest that the high temperature superconductivity in these two subgroups of iron-based family may arise from different electronic ground states. Here, we report the complete phase diagram of a newly synthesized superconducting (SC) system (Li1-xFex)OHFeSe with a similar structure to FeAs-based superconductors. In the non-SC samples, an antiferromagnetic (AFM) spin-density-wave (SDW) transition occurs at ~127 K. This is the first example to demonstrate such an SDW phase in FeSe-based superconductor system. Transmission electron microscopy (TEM) shows that a well-known sqrr(5) x sqrr(5) iron vacancy ordered state, resulting in an AFM order at ~ 500K in AyFe2-xSe2 (A = metal ions) superconductor system, is absent in both non-SC and SC samples, but a unique superstructure with a modulation wave vector q=1/2(1, 1, 0), identical to that seen in SC phase of KyFe2-xSe2, is dominant in the optimal SC sample (with an SC transition temperature Tc = 40 K). Hence, we conclude that the high-Tc superconductivity in (Li1-xFex)OHFeSe stems from the similarly weak AFM fluctuations as FeAs-based superconductors, suggesting a universal physical picture for both iron selenide and arsenide superconductors.",1412.7236v1 2015-06-12,Observation of universal strong orbital-dependent correlation effects in iron chalcogenides,"Establishing the appropriate theoretical framework for unconventional superconductivity in the iron-based materials requires correct understanding of both the electron correlation strength and the role of Fermi surfaces. This fundamental issue becomes especially relevant with the discovery of the iron chalcogenide (FeCh) superconductors, the only iron-based family in proximity to an insulating phase. Here, we use angle-resolved photoemission spectroscopy (ARPES) to measure three representative FeCh superconductors, FeTe0.56Se0.44, K0.76Fe1.72Se2, and monolayer FeSe film grown on SrTiO3. We show that, these FeChs are all in a strongly correlated regime at low temperatures, with an orbital-selective strong renormalization in the dxy bands despite having drastically different Fermi-surface topologies. Furthermore, raising temperature brings all three compounds from a metallic superconducting state to a phase where the dxy orbital loses all spectral weight while other orbitals remain itinerant. These observations establish that FeChs display universal orbital-selective strong correlation behaviors that are insensitive to the Fermi surface topology, and are close to an orbital-selective Mott phase (OSMP), hence placing strong constraints for theoretical understanding of iron-based superconductors.",1506.03888v2 2015-07-22,Mott localization in a pure stripe antiferromagnet Rb$_{1-δ}$Fe$_{1.5-σ}$S$_2$,"A combination of neutron diffraction and angle-resolved photoemission spectroscopy measurements on a pure antiferromagnetic stripe Rb$_{1-\delta}$Fe$_{1.5-\sigma}$S$_2$ is reported. A neutron diffraction experiment on a powder sample shows that a 98$\%$ volume fraction of the sample is in the antiferromagnetic stripe phase with rhombic iron vacancy order and a refined composition of Rb$_{0.66}$Fe$_{1.36}$S$_{2}$, and that only 2$\%$ of the sample is in the block antiferromagnetic phase with $\sqrt{5}\times \sqrt{5}$ iron vacancy order. Furthermore, a neutron diffraction experiment on a single crystal shows that there is only a single phase with the stripe antiferromagnetic order with the refined composition of Rb$_{0.78}$Fe$_{1.35}$S$_2$, while the phase with block antiferromagnetic order is absent. Angle-resolved photoemission spectroscopy measurements on the same crystal with the pure stripe phase reveal that the electronic structure is gapped at the Fermi level with a gap larger than 0.325 eV. The data collectively demonstrates that the extra 10$\%$ iron vacancies in addition to the rhombic iron vacancy order effectively impede the formation of the block antiferromagnetic phase; the data also suggest that the stripe antiferromagnetic phase with rhombic iron vacancy order is a Mott insulator.",1507.06062v2 2015-09-18,A disk wind interpretation of the strong Fe Kα features in 1H 0707-495,"1H 0707-495 is the most convincing example of a supermassive black hole with an X-ray spectrum being dominated by extremely smeared, relativistic reflection, with the additional requirement of strongly supersoler iron abundance. However, here we show that the iron features in its 2--10 keV spectrum are rather similar to the archetypal wind dominated source, PDS 456. We fit all the 2--10 keV spectra from 1H 0707-495 using the same wind model as used for PDS 456, but viewed at higher inclination so that the iron absorption line is broader but not so blueshifted. This gives a good overall fit to the data from 1H 0707-495, and an extrapolation of this model to higher energies also gives a good match to the NuSTAR data. Small remaining residuals indicate that the iron line emission is stronger than in PDS 456. This is consistent with the wider angle wind expected from a continuum driven wind from the super-Eddington mass accretion rate in 1H 0707-495, and/or the presence of residual reflection from the underlying disk though the presence of the absorption line in the model removes the requirement for highly relativistic smearing, and highly supersoler iron abundance. We suggest that the spectrum of 1H 0707-495 is sculpted more by absorption in a wind than by extreme relativistic effects in strong gravity.",1509.05645v3 2015-09-29,The Impact of Enhanced Iron Opacity on Massive Star Pulsations: Updated Instability Strips,"Recently, Bailey et al. (2015) made a direct measurement of the Iron opacity at the physical conditions of the solar tachocline. They found that the wavelength-integrated Iron opacity is roughly 75% higher that what the OP and OPAL models predict. Here, we compute new opacity tables with enhanced Iron and Nickel contributions to the Rosseland mean opacity by 75% each, and compute three dense MESA grids of evolutionary models for Galactic O- and B-type stars covering from 2.5 to 25 M$_\odot$ from ZAMS until $T_{\rm eff}=10\,000$ K after the core hydrogen exhaustion. We carry out non-adiabatic mode stability analysis with GYRE, and update the extension of the instability strips of heat-driven p- and g-mode pulsators, and the hybrid pulsating SPB - $\beta$ Cep stars. We compare the position of two confirmed late O-type $\beta$ Cep and eight confirmed hybrid B-type pulsators with the new instability domains, and justify that $\sim$75% enhancement, only in Iron opacity, is sufficient to consistently reproduce the observed position of these stars on the $\log T_{\rm eff}$ versus $\log g$ plane. We propose that this improvement in opacities be incorporated in the input physics of new stellar models. To reproduce the results, all software, opacity tables and the new instability strips are freely available for download at the following URL: https://fys.kuleuven.be/ster/Projects/ASAMBA.",1509.08652v1 2015-10-28,Variability of the X-ray Broad Iron Spectral Features in Active Galactic Nuclei and Black-hole Binaries,"The ""broad iron spectral features"" are often seen in X-ray spectra of Active Galactic Nuclei (AGN) and black-hole binaries (BHB). These features may be explained either by the ""relativistic disc reflection"" scenario or the ""partial covering"" scenario: It is hardly possible to determine which model is valid from time-averaged spectral analysis. Thus, X-ray spectral variability has been investigated to constrain spectral models. To that end, it is crucial to study iron structure of BHBs in detail at short time-scales, which is, for the first time, made possible with the Parallel-sum clocking (P-sum) mode of XIS detectors on board Suzaku. This observational mode has a time-resolution of 7.8~ms as well as a CCD energy-resolution. We have carried out systematic calibration of the P-sum mode, and investigated spectral variability of the BHB GRS 1915+105. Consequently, we found that the spectral variability of GRS 1915+105 does not show iron features at sub-seconds. This is totally different from variability of AGN such as 1H0707--495, where the variation amplitude significantly drops at the iron K-energy band. This difference can be naturally explained in the framework of the ""partial covering"" scenario.",1510.08189v1 2015-11-24,Origin of the X-ray Broad Iron Spectral Feature in GRS 1915+105,"The X-ray spectrum of GRS 1915+105 is known to have a ``broad iron spectral feature'' in the spectral hard state. Similar spectral features are often observed in Active Galactic Nuclei (AGNs) and other black-hole binaries (BHBs), and several models have been proposed for explaining it. In order to distinguish spectral models, time variation provides an important key. In AGNs, variation amplitude has been found to drop significantly at the iron K-energy band at timescales of ~10 ks. If spectral variations of black-holes are normalized by their masses, the spectral variations of BHBs at timescales of sub-seconds should exhibit similar characteristics to those of AGNs. In this paper, we investigated spectral variations of GRS 1915+105 at timescales down to ~10 ms. This was made possible for the first time with the Suzaku XIS Parallel-sum clocking (P-sum) mode, which has the CCD energy-resolution as well as a time-resolution of 7.8 ms. Consequently, we found that the variation amplitude of GRS 1915+105 does not drop at the iron K-energy band at any timescales from 0.06 s to 63000 s, and that the entire X-ray flux and the iron feature are independently variable at timescales of hours. These are naturally understood in the framework of the ``partial covering'' model, in which variation timescales of the continuum flux and partial absorbers are independent. The difference of energy dependence of the variation amplitude between AGN and BHB is presumably due to different mechanisms of the outflow winds, i.e., the partial absorbers are due to UV-line driven winds (AGN) or thermally-driven winds (BHB).",1511.07630v1 2016-01-11,Investigation of iron emission lines in the eclipsing high mass X-ray binary pulsar OAO 1657-415,"We present the results obtained from timing and spectral studies of high mass X-ray binary pulsar OAO 1657-415 using a Suzaku observations in 2011 September. X-ray pulsations were detected in the light curves up to $\sim$70 keV. The continuum spectra during the high- and low-flux regions in light curves were well described by high energy cutoff power-law model along with a blackbody component and iron fluorescent lines at 6.4 keV and 7.06 keV. Time resolved spectroscopy was carried out by dividing the entire observations into 18 narrow segments. Presence of additional dense matter at various orbital phases was confirmed as the cause of low-flux regions in the observations. Presence of additional matter at several orbital phases of the pulsar was interpreted as due to the inhomogeneously distributed clumps of matter around the neutron star. Using clumpy wind hypothesis, the physical parameters of the clumps causing the high- and low-flux episodes in the pulsar light curve were estimated. The equivalent width of iron emission lines was found to be significantly large at certain orbital phases of low-flux segments. We investigated the iron line emitting regions and suggest the existence of neutral and ionized iron atoms in emission sites that are located within the accretion radius.",1601.02345v1 2016-01-25,Iron Opacity Bump Changes the Stability and Structure of Accretion Disks in Active Galactic Nuclei,"Accretion disks around supermassive black holes have regions where the Rosseland mean opacity can be much larger than the electron scattering opacity primarily due to the large number of bound-bound transitions in iron. We study the effects of this iron opacity ""bump"" on the thermal stability and vertical structure of radiation pressure dominated accretion disks, utilizing three dimensional radiation magneto-hydrodynamic simulations in the local shearing box approximation. The simulations self-consistently calculate the heating due to MHD turbulence caused by magneto-rotational instability and radiative cooling by using the radiative transfer module based on a variable Eddington tensor in Athena. For a $5\times 10^8$ solar mass black hole with $\sim 3\%$ of the Eddington luminosity, a model including the iron opacity bump maintains its structure for more than $10$ thermal times without showing significant signs of thermal runaway. In contrast, if only electron scattering and free-free opacity are included as in the standard thin disk model, the disk collapses on the thermal time scale. The difference is caused by a combination of 1) an anti-correlation between the total optical depth and the temperature, and 2) enhanced vertical advective energy transport. These results suggest that the iron opacity bump may have a strong impact on the stability and structure of AGN accretion disks, and may contribute to a dependence of AGN properties on metallicity. Since this opacity is relevant primarily in UV emitting regions of the flow, it may help to explain discrepancies between observation and theory that are unique to AGNs.",1601.06836v1 2016-02-09,Quantum states entanglement in hemoglobin molecule active center,"An ab initio study of the electronic and spin configuration for the iron ion in the active center of the human hemoglobin molecule is presented. It is well known that the iron ion, being surrounded by the porphyrin ring and the ligands, plays the key role in the realization of the basic oxygen-transport functions of the molecule. This work is focused on the investigation the features of the 3$d$-shell electronic states of the iron ion located inside the active center of the hemoglobin molecule. Also in this paper we study in detail the changes in these states occurring during the oxidation process. We use a combination of the Density Functional Theory (DFT) method and the Dynamical Mean Field Theory (DMFT) approach. This method allows to consider dynamic correlation effects that are important in the description of systems containing transition metal ions. It was found that the state of the valence electrons of the iron ion of the active center of hemoglobin molecule is the entangled quantum state. This state is a mixture of several electronic states with comparable statistical probability. Furthermore, it was found that the process of the bond formation between the iron-porphyrin complex and the oxygen molecule is more complex than a simple high-spin to low-spin state of the Fe ion transition. The transition metal ion oxidation is accompanied by substantial redistribution of the states probabilities and the increasing of the entanglement degree. This process also leads to the reduction of the total spin moment from $s\approx$2.1 for the FeP(Im) to $s\approx$1.7 for the FeP(Im)(O$_2$).",1602.02963v2 2016-03-29,"Spin crossover in (Mg,Fe$^{3+}$)(Si,Fe$^{3+}$)O$_3$ bridgmanite: effects of disorder, iron concentration, and temperature","The spin crossover of iron in Fe$^{3+}$-bearing bridgmanite, the most abundant mineral of the Earth's lower mantle, is by now a well-established phenomenon, though several aspects of this crossover remain unclear. Here we investigate effects of disorder, iron concentration, and temperature on this crossover using ab initio LDA + U$_{sc}$ calculations. The effect of concentration and disorder are addressed using complete statistical samplings of coupled substituted configurations in super-cells containing up to 80 atoms. Vibrational/thermal effects on the crossover are addressed within the quasiharmonic approximation. The effect of disorder seems quite small, while increasing iron concentration results in considerable increase in crossover pressure. Our calculated compression curves for iron-free, Fe$^{2+}$-, and Fe$^{3+}$-bearing bridgmanite compare well with the latest experimental measurements. The comparison also suggests that in a close system, Fe$^{2+}$ present in the sample may transform into Fe$^{3+}$ by introduction of Mg and O vacancies with increasing pressure. As in the spin crossover in ferropericlase, this crossover in bridgmanite is accompanied by a clear volume reduction and an anomalous softening of the bulk modulus throughout the crossover pressure range. These effects reduce significantly with increasing temperature. Though the concentration of [Fe$^{3+}$]$_{Si}$ in bridgmanite may be small, related elastic anomalies may impact the interpretation of radial and lateral velocity structures of the Earth's lower mantle.",1603.08947v1 2016-04-28,On the evolution of the inner disk radius with flux in the neutron star low-mass X-ray binary Serpens X-1,"We analyze the latest \emph{Suzaku} observation of the bright neutron star low-mass X-ray binary Serpens X-1 taken in 2013 October and 2014 April. The observation was taken using the burst mode and only suffered mild pile-up effects. A broad iron line is clearly detected in the X-ray spectrum. We test different models and find that the iron line is asymmetric and best interpreted by relativistic reflection. The relativistically broadened iron line is generally believed to originate from the innermost regions of the accretion disk, where strong gravity causes a series of special and general relativistic effects. The iron line profile indicates an inner radius of $\sim8$ $R_{\rm G}$, which gives an upper limit on the size of the neutron star. The asymmetric iron line has been observed in a number of previous observations, which gives several inner radius measurements at different flux states. We find that the inner radius of Serpens X-1 does not evolve significantly over the range of $L/L_{\rm Edd}\sim0.4-0.6$, and the lack of flux dependence of the inner radius implies that the accretion disk may be truncated outside the innermost stable circular orbit by the boundary layer rather than the stellar magnetic field.",1604.08626v2 2016-06-08,A critical look at the merger scenario to explain multiple populations and rotation in iron-complex globular clusters,"Merging has been proposed to explain multiple populations in globular clusters (GCs) where there is a spread in iron abundance (hereafter, iron-complex GCs). By means of N-body simulations, we investigate if merging is consistent with the observations of sub-populations and rotation in iron-complex GCs. The key parameters are the initial mass and density ratios of the progenitors. When densities are similar, the more massive progenitor dominates the central part of the merger remnant and the less massive progenitor forms an extended rotating population. The low-mass progenitor can become the majority population in the central regions of the merger remnant only if its initial density is higher by roughly the mass ratio. To match the radial distribution of multiple populations in two iron-complex GCs ({\omega} Cen and NGC 1851), the less massive progenitor needs to be four times as dense as the larger one. Our merger remnants show solid-body rotation in the inner parts, becoming differential in the outer parts. Rotation velocity V and ellipticity {\epsilon} are in agreement with models for oblate rotators with isotropic dispersion. We discuss several kinematic signatures of a merger with a denser lower mass progenitor that can be tested with future observations.",1606.02743v1 2016-07-30,Observation of the anisotropic Dirac cone in the band dispersion of 112-structured iron-based superconductor Ca0.9La0.1FeAs2,"CaFeAs2 is a parent compound of recently discovered 112-type iron-based superconductors. It is predicted to be a staggered intercalation compound that naturally integrates both quantum spin Hall insulating and superconducting layers and an ideal system for the realization of Majorana modes. We performed a systematical angle-resolved photoemission spectroscopy and first-principle calculation study of the slightly electron-doped CaFeAs2. We found that the zigzag As chain of 112-type iron-based superconductors play a considerable role in the low-energy electronic structure, resulting in the characteristic Dirac-cone like band dispersion as the prediction. Our experimental results further confirm that these Dirac cones only exists around the X but not Y points in the Brillouin zone, breaking the S4 symmetry at iron sites. Our findings present the compelling support to the theoretical prediction that the 112-type iron-based superconductors might host the topological nontrivial edge states. The slightly electron doped CaFeAs2 would provide us a unique opportunity to realize and explore Majorana fermion physics.",1608.00072v1 2016-11-23,High-Tc superconductivity in FeSe at high pressure: Dominant hole carriers and enhanced spin fluctuations,"The importance of electron-hole interband interactions is widely acknowledged for iron-pnictide superconductors with high transition temperatures (Tc). However, high-Tc superconductivity without hole carriers has been suggested in FeSe single-layer films and intercalated iron-selenides, raising a fundamental question whether iron pnictides and chalcogenides have different pairing mechanisms. Here, we study the properties of electronic structure in the high-Tc phase induced by pressure in bulk FeSe from magneto-transport measurements and first-principles calculations. With increasing pressure, the low-Tc superconducting phase transforms into high-Tc phase, where we find the normal-state Hall resistivity changes sign from negative to positive, demonstrating dominant hole carriers in striking contrast to other FeSe-derived high-Tc systems. Moreover, the Hall coefficient is remarkably enlarged and the magnetoresistance exhibits anomalous scaling behaviors, evidencing strongly enhanced interband spin fluctuations in the high-Tc phase. These results in FeSe highlight similarities with high-Tc phases of iron pnictides, constituting a step toward a unified understanding of iron-based superconductivity.",1611.07973v1 2017-03-09,Orbital selective pairing and superconductivity in iron selenides,"An important challenge in condensed matter physics is understanding iron-based superconductors. Among these systems, the iron selenides hold the record for highest superconducting transition temperature and pose especially striking puzzles regarding the nature of superconductivity. The pairing state of the alkaline iron selenides appears to be of $d$-wave type based on the observation of a resonance mode in neutron scattering, while it seems to be of $s$-wave type from the nodeless gaps observed everywhere on the Fermi surface (FS). Here we propose an orbital-selective pairing state, dubbed $s \tau_{3}$, as a natural explanation of these disparate properties. The pairing function, containing a matrix $\tau_{3}$ in the basis of $3d$-electron orbitals, does not commute with the kinetic part of the Hamiltonian. This dictates the existence of both intraband and interband pairing terms in the band basis. A spin resonance arises from a $d$-wave-type sign change in the intraband pairing component whereas the quasiparticle excitation is fully gapped on the FS due to an $s$-wave-like form factor associated with the addition in quadrature of the intraband and interband pairing terms. We demonstrate that this pairing state is energetically favored when the electron correlation effects are orbitally selective. More generally, our results illustrate how the multiband nature of correlated electrons affords unusual types of superconducting states, thereby shedding new light not only on the iron-based materials but also on a broad range of other unconventional superconductors such as heavy fermion and organic systems.",1703.03170v1 2017-04-18,Unified phase diagram for iron-based superconductors,"High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportional to the effective Curie constants of their nematic susceptibility. This unexpected scaling behavior suggests that the magnetic ground states of iron pnictides can be achieved by tuning the strength of nematic fluctuations. Therefore, a unified phase diagram can be established where superconductivity emerges from a hypothetical parent compound with a large ordered moment but weak nematic fluctuations, which suggests that iron-based superconductors are strongly correlated electron systems.",1704.05182v2 2017-07-04,Optical properties of non-stoichiometric amorphous silicates with application to circumstellar dust extinction,"Optical constants of non-stoichiometric amorphous magnesium-iron silicates are determined. It is demonstrated that these can well reproduce the observed mid-infrared emission spectra of evolved stars. Stoichiometric and non-stoichiometric amorphous magnesium-iron silicate films are fabricated by pulsed laser deposition. Transmittance and ellipsometry measurements are performed in the wavelength range between 2 and 200 $\mu$m and 1.7 and 33 $\mu$m, respectively. Optical constants are derived from transmittance and ellipsometric $\Psi$ and $\Delta$ spectra by means of oscillator models. The optical constants are applied in radiative transfer models for examining reproducibility of the observed spectral features of circumstellar dust shells around supergiants. The spectra of four selected supergiants are dominated by amorphous silicate dust emission in the wavelength range of 9 and 25 $\mu$m. To obtain a good fit to the observed spectra, we take into account amorphous corundum and metallic iron particles as additional dust components to account for dust emission at $\lambda<8 \mu$m and in between the two silicate features. For each of the objects, a set of model parameters (dust mass, condensation temperature) is derived by an automated optimization procedure which well reproduces the observation. Consequently, our model spectra using the new optical data find that the silicate bands at $\approx 10$ and $\approx 18 \mu$m depend on the magnesium and iron ratio in the silicate system, and that a good fit requires a significant iron content of the amorphous silicate dust component to reproduce the observed peak positions and shape of the silicate bands.",1707.00903v1 2017-10-05,Whether it is possible to stabilize the 1144-phase pnictides with tri-valence cations?,"The 1144 iron arsenide (e.g. CaKFe4As4) has recently been discovered and inspired a tide of search for superconductors. Such far, the discovered compounds are confined to iron arsenides (ABFe4As4), where A and B are either alkali metals or alkaline earth elements. In this work, we propose two directions in searching 1144 structures: (i) using tri-valence cations for A; (ii) substituting the transition metal, e.g. replacing Fe by Co. Following the two directions, we employ density functional theory to study stability and electronic structures of 1144 pnictides of various tri-valence cations (La, Y, In, Tl, Sm and Gd), as well as cobalt arsenides. For LaAFe4As4, the 1144 phase can be stabilized in three systems: LaKFe4As4, LaRbFe4As4 and LaCsFe4As4, which show quasi-two-dimensional semi-metal features similar to the iron pnictide superconductors: hole-type Fermi surface at Gama point and electron-type Fermi surface at M point in B.Z. In addition, LaKFe4As4 feature an extra bubble shaped Fermi surface sheets, distinct from the other two peers. Y does not support any 1144 phase within our search. For In and Tl, substitute Fe by Co and two unknown compounds of the 122 phase are stabilized: InCo2As2 and TlCo2As2. The two cobalt arsenides have Fermi surfaces of similar topology as iron arsenides, but the Fermi surfaces are all electron-type, showing potentials to be undiscovered superconductors. Stable 1144 phases are also found in InKCo4As4 and InRbCo4As4. For Sm and Gd, most 1144 and 122 iron arsenides are found unstable.",1710.01868v2 2018-02-28,The Coulomb problem in iron based superconductors,"We discuss the role of strong Coulomb interactions in iron-based superconductors (FeSCs). The presumed $s^{\pm}$ character of these superconductors means that the condensate is not symmetry protected against Coulomb repulsion. Remarkably, the transition temperatures and the excitation gap are quite robust across the large family of iron based superconductors, despite drastic changes in Fermi surface geometry. The Coulomb problem is to understand how these superconductors avoid the strong onsite Coulomb interaction at the iron atoms, while maintaining a robust transition temperature. Within the dominant space of $t_{2g}$ orbitals, on-site repulsion in the FeSCs enforces two linearly independent components of the condensate to vanish. This raises the possibility that iron-based superconductors might adapt their condensate to the Coulomb constraints by rotating the pairing state within the large manifold of entangled, extended s-wave gap functions with different orbital and momentum space structure. We examine this ""orbital and k-space flexibility"" (OKF) mechanism using both Landau theory and microscopic calculations within a multi-orbital t-J model. Based on our results, we conclude that OKF necessitates a large condensate degeneracy. One interesting possibility raised by our results, is that a resolution to the Coulomb problem in FeSC might require a reconsideration of triplet pairing.",1802.10580v3 2018-03-02,"Direct observation of multiple topological phases in the iron-based superconductor Li(Fe,Co)As","Topological insulators/semimetals and unconventional iron-based superconductors have attracted major attentions in condensed matter physics in the past 10 years. However, there is little overlap between these two fields, although the combination of topological states and superconducting states will produce more exotic topologically superconducting states and Majorana bound states (MBS), a promising candidate for realizing topological quantum computations. With the progress in laser-based spin-resolved and angle-resolved photoemission spectroscopy (ARPES) with very high energy- and momentum-resolution, we directly resolved the topological insulator (TI) phase and topological Dirac semimetal (TDS) phase near Fermi level ($E_F$) in the iron-based superconductor Li(Fe,Co)As. The TI and TDS phases can be separately tuned to $E_F$ by Co doping, allowing a detailed study of different superconducting topological states in the same material. Together with the topological states in Fe(Te,Se), our study shows the ubiquitous coexistence of superconductivity and multiple topological phases in iron-based superconductors, and opens a new age for the study of high-Tc iron-based superconductors and topological superconductivity.",1803.00846v1 2018-06-06,First-principles calculations of iron-hydrogen reactions in silicon,"Controlling the contamination of silicon materials by iron, especially dissolved interstitial iron (Fe$_{\mathrm{i}}$), is a longstanding problem with recent developments and several open issues. Among these we have the question whether hydrogen can assist iron diffusion, or if significant amounts of substitutional iron (Fe$_{\mathrm{s}}$) can be created. Using density functional calculations we explore the structure, formation energies, binding energies, migration, and electronic levels of several FeH complexes in Si. We find that a weakly bound Fe$_{\mathrm{i}}$H pair has a migration barrier close to that of isolated Fe$_{\mathrm{i}}$ and a donor level at $E_{\mathrm{v}}+0.5$~eV. Conversely, Fe$_{\mathrm{i}}$H$_{2}(0/+)$ is estimated at $E_{\mathrm{v}}+0.33$~eV. These findings suggest that the hole trap at $E_{\mathrm{v}}+0.32$~eV measured by capacitance measurements should be assigned to Fe$_{\mathrm{i}}$H$_{2}$ . Fe$_{\mathrm{s}}$H-related complexes show only deep acceptor activity and are expected to have little effect on minority carrier life-time in $p$-type Si. The opposite conclusion can be drawn for $n$-type Si. We find that while in H-free material Fe$_{\mathrm{i}}$ defects have lower formation energy than Fe$_{\mathrm{s}}$, in hydrogenated samples Fe$_{\mathrm{s}}$-related defects become considerably more stable. This would explain the observation of an EPR signal attributed to a Fe$_{\mathrm{s}}$H-related complex in hydrogenated Si, which was quenched from above 1000$^{\circ}$C to iced-water temperature.",1806.02249v2 2018-08-16,Atomic iron and titanium in the atmosphere of the exoplanet KELT-9b,"The chemical composition of an exoplanet is a key ingredient in constraining its formation history. Iron is the most abundant transition metal, but has never been directly detected in an exoplanet due to its highly refractory nature. KELT-9b (HD 195689b) is the archetype of the class of ultra-hot Jupiters that straddle the transition between stars and gas-giant exoplanets and serve as distinctive laboratories for studying atmospheric chemistry, because of its high equilibrium temperature of 4050 +/- 180 K. These properties imply that its atmosphere is a tightly constrained chemical system that is expected to be nearly in chemical equilibrium and cloud-free. It was previously predicted that the spectral lines of iron will be detectable in the visible range of wavelengths. At these high temperatures, iron and several other transition metals are not sequestered in molecules or cloud particles and exist solely in their atomic forms. Here, we report the direct detection of atomic neutral and singly-ionized iron (Fe and Fe+), and singly-ionized titanium (Ti+) in KELT-9b via the cross-correlation technique applied to high-resolution spectra obtained during the primary transit of the exoplanet.",1808.05653v1 2019-04-15,Using the infrared iron lines to probe solar subsurface convection,"Studying the properties of the solar convection using high-resolution spectropolarimetry began in the early 90's with the focus on observations in the visible wavelength regions. Its extension to the infrared (IR) remains largely unexplored. The IR iron lines around 15600\,$\rm{\AA}$, most commonly known for their high magnetic sensitivity, also have a non-zero response to line-of-sight velocity below $\log (\tau)=0.0$. In this paper we aim to tap this potential to explore the possibility of using them to measure sub-surface convective velocities. By assuming a snapshot of a three-dimensional magnetohydrodynamic simulation to represent the quiet Sun, we investigate how well the iron IR lines can reproduce the LOS velocity in the cube and up to what depth. We use the recently developed spectropolarimetric inversion code SNAPI and discuss the optimal node placements for the retrieval of reliable results from these spectral lines. We find that the IR iron lines can measure the convective velocities down to $\log (\tau)=0.5$, below the photosphere, not only at original resolution of the cube but also when degraded with a reasonable spectral and spatial PSF and stray light. Meanwhile, the commonly used Fe~{\sc i} 6300\,\AA{} line pair performs significantly worse. Our investigation reveals that the IR iron lines can probe the subsurface convection in the solar photosphere. This paper is a first step towards exploiting this diagnostic potential.",1904.07306v1 2019-05-21,Impact of the fac/mer isomerism on the excited states dynamics of pyridyl-carbene Fe(II) complexes,"The control of photophysical properties of iron complexes and especially of their excited states decay is a great challenge in the search for sustainable alternatives to noble metals in photochemical applications. Herein we report the synthesis and investigations of the photophysics of mer and fac iron complexes bearing bidentate pyridyl-NHC ligands, coordinating the Fe with three ligand-field enhancing carbene bonds. Ultrafast transient absorption spectroscopy reveals two distinct excited state populations for both mer and fac forms, ascribed to the populations of the T1 and the T2 states, respectively, which decay to the ground state via parallel pathways. We find 3-4 ps and 15-20 ps excited state lifetimes, with respective amplitudes depending on the isomer. The longer lifetime exceeds the one reported for iron complexes with tridentate ligands analogues involving four iron-carbene bonds. By combining experimental and computational results, a mechanism based on the differential trapping of the triplet states in spin-crossover regions is proposed for the first time to explain the impact of the fac/mer isomerism on the overall excited-state lifetimes. Our results clearly highlight the impact of bidentate Pyridyl-NHC ligands on the photophysics of iron complexes, especially the paramount role of fac/mer isomerism in modulating the overall decay process, which can be potentially exploited in the design of new Fe(II)-based photoactive compound.",1905.08858v1 2019-10-03,Decoupling of Lattice and Orbital Degrees of Freedom in an Iron-Pnictide Superconductor,"The interplay of structural and electronic phases in iron-based superconductors is a central theme in the search for the superconducting pairing mechanism. While electronic nematicity, defined as the breaking of four-fold symmetry triggered by electronic degrees of freedom, is competing with superconductivity, the effect of purely structural orthorhombic order is unexplored. Here, using x-ray diffraction (XRD), we reveal a new structural orthorhombic phase with an exceptionally high onset temperature ($T_\mathrm{ort} \sim 250$ K), which coexists with superconductivity ($T_\mathrm{c} = 25$ K), in an electron-doped iron-pnictide superconductor far from the underdoped region. Furthermore, our angle-resolved photoemission spectroscopy (ARPES) measurements demonstrate the absence of electronic nematic order as the driving mechanism, in contrast to other underdoped iron pnictides where nematicity is commonly found. Our results establish a new, high temperature phase in the phase diagram of iron-pnictide superconductors and impose strong constraints for the modeling of their superconducting pairing mechanism.",1910.01639v2 2020-02-05,Spin Resonances in Iron-Selenide High-Tc Superconductors by Proximity to Hidden Spin Density Wave,"Recent inelastic neutron scattering studies by Pan et al., Nature Communications 8, 123 (2017), find evidence for spin excitations at energies above the quasi-particle gap in an iron-selenide high-Tc superconductor. The momenta of the spin excitations form a diamond around the checkerboard wavevector, Q_AF, that is associated with the square lattice of iron atoms that makes up the system. It has been suggested that such a ""hollowed-out"" spin-excitation spectrum is due to hidden Neel order. We study such a hidden spin-density wave (hSDW) state that results from nested Fermi surfaces at the center and at the corner of the unfolded Brillouin zone. It emerges within mean field theory from an extended Hubbard model over a square lattice of iron atoms that contain the minimal d_xz and d_yz orbitals. Opposing Neel order exists over the isotropic d+ = d_xz + i d_yz and d- = d_xz - i d_yz orbitals. The dynamical spin susceptibility of the hSDW is computed within the random phase approximation, at perfect nesting. Unobservable Goldstone modes that disperse acoustically are found at Q_AF. A threshold is found in the spectrum of observable spin excitations that forms a ""floating ring"" at Q_AF also. The ring threshold moves down in energy toward zero with increasing Hund's Rule coupling, while it moves up in energy with increasing magnetic frustration. Comparison with the normal-state features of the spin-excitation spectrum shown by electron-doped iron selenide is made. Also, recent predictions of a Lifshitz transition from the nested Fermi surfaces to Fermi surface pockets at the corner of the folded Brillouin zone will be discussed.",2002.01732v2 2020-10-01,A Molecular Dynamics Investigation of Mechanical Properties of Graphene Reinforced Iron Composite and The Effect of Vacancy Defect Distance from the Matrix-Fiber Interface,"Graphene is a material of excellent mechanical properties, which make it an ideal fiber for reinforcing metal. Since iron is the most used metal in the world, reinforcing iron with graphene can reduce the overall requirement of material in any application where strength is demanded. However, the effect of graphene reinforcement on the mechanical properties of iron needs to be known before the industrial application of the composite. In this paper, we have investigated the mechanical properties of graphene-reinforced iron composite by Molecular Dynamics (MD) method for various conditions. The properties were investigated by applying uniaxial tension on a modeled representative volume element (RVE). The effect of temperature on the mechanical property of the composite was also studied because the knowledge is required for manufacturing products with the composite operating at a wide temperature range. MD analysis also revealed that the initiation of fracture is from the matrix-fiber interface. We also investigated how the distance of vacancy defects from the matrix-fiber interface affects the mechanical properties of the composite, which can be used to select a suitable manufacturing process. The results obtained from this study show that vacancy defects lower the strength at a greater extent as it gets closer to the interface.",2010.00274v1 2021-06-04,Magnetic states of quasi-one-dimensional iron chalcogenide Ba$_2$FeS$_3$,"Quasi-one-dimensional iron-based ladders and chains, with the 3$d$ iron electronic density $n = 6$, are attracting considerable attention. Recently, a new iron chain system Ba$_2$FeS$_3$, also with $n = 6$, was prepared under high-pressure and high-temperature conditions. Here, the magnetic and electronic phase diagrams are theoretically studied for this quasi-one-dimensional compound. Based on first-principles calculations, a strongly anisotropic one-dimensional electronic band behavior near the Fermi level was observed. In addition, a three-orbital electronic Hubbard model for this chain was constructed. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group (DMRG) method, we studied the ground-state phase diagram. A robust staggered $\uparrow$-$\downarrow$-$\uparrow$-$\downarrow$ AFM region was unveiled in the chain direction, consistent with our density functional theory (DFT) calculations. Furthermore, at intermediate Hubbard $U$ coupling strengths, this system was found to display an orbital selective Mott phase (OSMP) with one localized orbital and two itinerant metallic orbitals. At very large $U/W$ ($W$ = bandwidth), the system displays Mott insulator characteristics, with two orbitals half-filled and one doubly occupied. Our results for high pressure Ba$_2$FeS$_3$ provide guidance to experimentalists and theorists working on this one-dimensional iron chalcogenide chain material.",2106.02753v2 2021-07-29,Modelling disease progression with multi-level electronic health records data and informative observation times: an application to treating iron deficiency anaemia in primary care of the UK,"Modelling disease progression of iron deficiency anaemia (IDA) following oral iron supplement prescriptions is a prerequisite for evaluating the cost-effectiveness of oral iron supplements. Electronic health records (EHRs) from the Clinical Practice Research Datalink (CPRD) provide rich longitudinal data on IDA disease progression in patients registered with 663 General Practitioner (GP) practices in the UK, but they also create challenges in statistical analyses. First, the CPRD data are clustered at multi-levels (i.e., GP practices and patients), but their large volume makes it computationally difficult to implement estimation of standard random effects models for multi-level data. Second, observation times in the CPRD data are irregular and could be informative about the disease progression. For example, shorter/longer gap times between GP visits could be associated with deteriorating/improving IDA. Existing methods to address informative observation times are mostly based on complex joint models, which adds more computational burden. To tackle these challenges, we develop a computationally efficient approach to modelling disease progression with EHRs data while accounting for variability at multi-level clusters and informative observation times. We apply the proposed method to the CPRD data to investigate IDA improvement and treatment intolerance following oral iron prescriptions in primary care of the UK.",2107.13956v1 2021-10-27,Globular Cluster Intrinsic Iron Abundance Spreads: II. Protocluster Metallicities and the Age-Metallicity Relations of Milky Way Progenitors,"Intrinsic iron abundance spreads in globular clusters, although usually small, are very common, and are signatures of self enrichment: some stars within the cluster have been enriched by supernova ejecta from other stars within the same cluster. We use the Bailin (2018) self enrichment model to predict the relationship between properties of the protocluster -- its mass and the metallicity of the protocluster gas cloud -- and the final observable properties today -- its current metallicity and the internal iron abundance spread. We apply this model to an updated catalog of Milky Way globular clusters where the initial mass and/or the iron abundance spread is known to reconstruct their initial metallicities. We find that with the exception of the known anomalous bulge cluster Terzan 5 and three clusters strongly suspected to be nuclear star clusters from stripped dwarf galaxies, the model provides a good lens for understanding their iron spreads and initial metallicities. We then use these initial metallicities to construct age-metallicity relations for kinematically-identified major accretion events in the Milky Way's history. We find that using the initial metallicity instead of the current metallicity does not alter the overall picture of the Milky Way's history, since the difference is usually small, but does provide information that can help distinguish which accretion event some individual globular clusters with ambiguous kinematics should be associated with, and points to potential complexity within the accretion events themselves.",2110.14571v1 2021-12-08,Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce$_2$O$_2$FeSe$_2$ under hole and electron doping,"The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare. Here, a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional $n=6$ iron chain Ce$_2$O$_2$FeSe$_2$, with focus on the effect of doping. Specifically, introducing the Hubbard $U$ and Hund $J_{H}$ couplings and studying the model via the density matrix renormalization group, we report the ground-state phase diagram varying the electronic density away from $n=6$. For the realistic Hund coupling $J_{H}/U = 1/4$, several electronic phases were obtained, including a metal, orbital-selective Mott, and Mott insulating phases. Doping away from the parent phase, the competition of many tendencies leads to a variety of magnetic states, such as ferromagnetism, as well as several antiferromagnetic and magnetic ""block"" phases. In the hole-doping region, two different interesting orbital-selective Mott phases were found: OSMP1 (with one localized orbital and two itinerant orbitals) and OSMP2 (with two localized orbitals and one itinerant orbital). Moreover, charge disproportionation phenomena were found in special doping regions. We argue that our predictions can be tested by simple modifications in the original chemical formula of Ce$_2$O$_2$FeSe$_2$.",2112.04049v1 2022-01-07,First-principles study on the solute-induced low diffusion and self-trapping of helium in fcc iron,"The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron have been investigated using first-principles calculations based on density functional theory (DFT). For the interactions of solutes and He, we found that Ti, P, Si, and C attracts He is more potent than Ni and Cr in fcc iron. We have determined the most stable configuration for the He-He pair, which is the Hesub-Hetetra pair with a binding energy of 1.60 eV. In considering the effect of solutes on the stability of the He-He pair, we have proposed a unique definition of binding energy. By applying the definition, we suggest that Ti and P could weaken He self-trapping, and Cr and C are beneficial for He self-trapping, while Ni is similar to the matrix Fe itself. For the diffusion of He, which is the necessary process of forming the He bubble, we determined that the most stable interstitial He is in a tetrahedral site and could migrate with the energy barrier of 0.16 eV in pure fcc iron. We further found that Ti and Si can increase the barrier to 0.18 and 0.20 eV; on the contrary, Cr and P decrease the barrier to 0.10 and 0.06 eV, respectively. Summarizing the calculations, we conclude that Ti decreases while Cr increases the diffusion and self-trapping of He in fcc iron.",2201.02423v1 2022-02-17,Helium absorption in exoplanet atmospheres is connected to stellar coronal abundances,"Transit observations in the helium triplet around 10830 Angstrom are a successful tool to study exoplanetary atmospheres and their mass loss. Forming those lines requires ionisation and recombination of helium in the exoplanetary atmosphere. This ionisation is caused by stellar photons at extreme ultra-violet (EUV) wavelengths; however, no currently active telescopes can observe this part of the stellar spectrum. The relevant part of the stellar EUV spectrum consists of individual emission lines, many of them being formed by iron at coronal temperatures. The stellar iron abundance in the corona is often observed to be depleted for high-activity low-mass stars due to the first ionisation potential (FIP) effect. I show that stars with high versus low coronal iron abundances follow different scaling laws that tie together their X-ray emission and the narrow-band EUV flux that causes helium ionisation. I also show that the stellar iron to oxygen abundance ratio in the corona can be measured reasonably well from X-ray CCD spectra, yielding similar results to high-resolution X-ray observations. Taking coronal iron abundance into account, the currently observed large scatter in the relationship of EUV irradiation with exoplanetary helium transit depths can be reduced, improving the target selection criteria for exoplanet transmission spectroscopy. In particular, previously puzzling non-detections of helium for Neptunic exoplanets are now in line with expectations from the revised scaling laws.",2202.08838v1 2022-05-24,Iron as a sustainable chemical carrier of renewable energy: Analysis of opportunities and challenges for retrofitting coal-fired power plants,"As a result of the 2021 United Nations Climate Change Conference (COP26), several countries committed to phasing down coal electricity as soon as possible, deactivating hundreds of power plants in the near future. CO$_2$-free electricity can be generated in these plants by retrofitting them for iron combustion. Iron oxides produced during the process can be collected and reduced back to metallic iron using H$_2$, in a circular process where it becomes an energy carrier. Using clean energy in the recycling process enables storage and distribution of excess generated in periods of abundance. This concept uses and scales up existing dry metal cycle technologies, which are the focus of extensive research worldwide. Retrofitting is evaluated here to determine feasibility of adding these material requirements to markets, in the context of current plans for decarbonization of steel industry, and policies on hydrogen and renewable electricity. Results indicate that not only for a single power plant, but also on larger scales, the retrofitting plan is viable, promoting and supporting advancements in sustainable electricity, steel industry and hydrogen production, converging necessary technological and construction efforts. The maturation and first commercial-scale application of iron combustion technology by 2030, together with developing necessary reduction infrastructure over the next decades, would pave the way for large-scale retrofitting and support the phasing out of coal in many regions. The proposed plan represents a feasible solution that takes advantage of existing assets, creates a long-lasting legacy for the industry and establishes circular energy economies that increase local energy security.",2205.11944v1 2022-11-10,Inferring Type II-P Supernova Progenitor Masses from Plateau Luminosities,"Connecting observations of core-collapse supernova explosions to the properties of their massive star progenitors is a long-sought, and challenging, goal of supernova science. Recently, Barker et al. (2022) presented bolometric light curves for a landscape of progenitors from spherically symmetric neutrino-driven core-collapse supernova (CCSN) simulations using an effective model. They find a tight relationship between the plateau luminosity of the Type II-P CCSN light curve and the terminal iron core mass of the progenitor. Remarkably, this allows us to constrain progenitor properties with photometry alone. We analyze a large observational sample of Type II-P CCSN light curves and estimate a distribution of iron core masses using the relationship of Barker et al 2022. The inferred distribution matches extremely well with the distribution of iron core masses from stellar evolutionary models, and namely, contains high-mass iron cores that suggest contributions from very massive progenitors in the observational data. We use this distribution of iron core masses to infer minimum and maximum mass of progenitors in the observational data. Using Bayesian inference methods to locate optimal initial mass function parameters, we find M$_{\mathrm{min}}=9.8^{+0.37}_{-0.27}$ and M$_{\mathrm{max}}=24.0^{+3.9}_{-1.9}$ solar masses for the observational data.",2211.05789v2 2022-12-13,Antiferromagnetic iron based magnetoelectric compounds,"The Landau free-energy of a compound that benefits from a linear coupling of an electric field and a magnetic field includes a product of the two fields, one polar and time-even and one axial and time-odd. In ME compounds, expectation values of some atomic magnetic tensors are invariant with respect to anti-inversion. An invariance shared by the Dirac monopole (an element of charge allowed in Maxwell's equations that has not been observed) and a Zeldovich anapole, also known as a Dirac dipole. From the science of materials perspective, it has been established that Dirac multipoles contribute to the diffraction of x-rays and neutrons. We identify Dirac monopoles in bulk magnetic properties of iron tellurate (Fe2TeO6) and a spin ladder (SrFe2S2O). Both cited compounds present a simple antiferromagnetic configuration of axial dipoles, and their different magnetic crystal classes allow a linear ME effect. However, the Kerr effect is symmetry allowed in the spin ladder and forbidden in iron tellurate. Anapoles are forbidden in iron tellurate and allowed in the spin ladder compound, a difference evident in diffraction patterns fully informed by symmetry. More generally, we identify a raft of Dirac multipoles, and axial multipoles beyond dipoles, visible in future experiments using standard techniques with beams of neutrons or x-rays tuned in energy to an iron atomic resonance. ME invariance imposes a phase relationship between nuclear (charge) and magnetic contributions to neutron (x-ray) diffraction amplitudes. In consequence, intensities of Bragg spots in an x-ray pattern do not change when helicity in the primary beam is reversed. A like effect occurs in the magnetic diffraction of polarized neutrons.",2212.06403v1 2022-12-20,Numerical modeling of pulverized iron flames in a multidimensional hot counterflow burner,"Pulverized iron flames stabilized in a multidimensional hot counterflow burner are simulated using a numerical model, which is extended from the state-of-the-art model developed by Hazenberg and van Oijen (PCI, 2021) considering unsteady effects. The results are compared to available experimental data (McRae et al., PCI, 2019), including particle image velocimetry measurements, a direct flame photo, the flow field velocity and the flame speed for different iron and oxygen concentrations. The comparison shows that the particle dynamics and flame shape can be reasonably well predicted. The flow field velocity and flame speed also show quantitative agreement between the simulation and the experiment. Based on the validated simulation results, the iron combustion characteristics, including the thermal structures and the multidimensional effects, are analyzed for different oxidizer environments. The analysis shows that the iron particles undergo a transition from kinetic-controlled regime (up to ignition) to a diffusion-controlled regime (burning) at the central axis for both environments with the particle temperature being higher than the gas temperature at the flame front, which is indicated by the Damk\""ohler number. For the hot counterflow burner, there exist multidimensional effects, i.e., the temperature and Damk\""ohler number change along the radial direction.",2212.10226v1 2023-02-27,Searching for iron nanoparticles with a general-purpose Gaussian approximation potential,"We present a general-purpose machine learning Gaussian approximation potential (GAP) for iron that is applicable to all bulk crystal structures found experimentally under diverse thermodynamic conditions, as well as surfaces and nanoparticles (NPs). By studying its phase diagram, we show that our GAP remains stable at extreme conditions, including those found in the Earth's core. The new GAP is particularly accurate for the description of NPs. We use it to identify new low-energy NPs, whose stability is verified by performing density functional theory calculations on the GAP structures. Many of these NPs are lower in energy than those previously available in the literature up to $N_\text{atoms}=100$. We further extend the convex hull of available stable structures to $N_\text{atoms}=200$. For these NPs, we study characteristic surface atomic motifs using data clustering and low-dimensional embedding techniques. With a few exceptions, e.g., at magic numbers $N_\text{atoms}=59$, $65$, $76$ and $78$, we find that iron tends to form irregularly shaped NPs without a dominant surface character or characteristic atomic motif, and no reminiscence of crystalline features. We hypothesize that the observed disorder stems from an intricate balance and competition between the stable bulk motif formation, with bcc structure, and the stable surface motif formation, with fcc structure. We expect these results to improve our understanding of the fundamental properties and structure of low-dimensional forms of iron, and to facilitate future work in the field of iron-based catalysis.",2302.13722v2 2023-03-07,The potential of retrofitting existing coal power plants: a case study for operation with green iron,"Storing electrical energy for long periods and transporting it over long distances is an essential task of the necessary transition to a CO$_2$-free energy economy. An oxidation-reduction cycle based on iron and its oxides represents a very promising technology in this regard. The present work assesses the potential of converting an existing modern coal-fired power plant to operation with iron. For this purpose, a systematic retrofit study is carried out, employing a model that balances all material and energy fluxes in a state-of-the-art coal-fired power plant. Particular attention is given to components of the burner system and the system$'$s heat exchanger. The analysis provides evidence that main components such as the steam generator and steam cycle can be reused with moderate modifications. Major modifications are related to the larger amounts of solids produced during iron combustion, for instance in the particle feeding and removal systems. Since the high particle densities and lower demand for auxiliary systems improve the heat transfer, the net efficiencies of iron operation can be one to two percentage points better than coal operation, depending on operating conditions. This new insight can significantly accelerate the introduction of this innovative technology by guiding future research and the development of the retrofit option.",2303.04000v2 2023-04-14,Performance of TES X-Ray Microcalorimeters Designed for 14.4-keV Solar Axion Search,"A 57Fe nucleus in the solar core could emit a 14.4-keV monochromatic axion through the M1 transition if a hypothetical elementary particle, axion, exists to solve the strong CP problem. Transition edge sensor (TES) X-ray microcalorimeters can detect such axions very efficiently if they are again converted into photons by a 57Fe absorber. We have designed and produced a dedicated TES array with 57Fe absorbers for the solar axion search. The iron absorber is set next to the TES, keeping a certain distance to reduce the iron-magnetization effect on the spectroscopic performance. A gold thermal transfer strap connects them. A sample pixel irradiated from a 55Fe source detected 698 pulses. In contrast to thermal simulations, we consider that the pulses include either events produced in an iron absorber or gold strap at a fraction dependent on the absorption rate of each material. Furthermore, photons deposited on the iron absorber are detected through the strap as intended. The identification of all events still needs to be completed. However, we successfully operated the TES with the unique design under iron magnetization for the first time.",2304.07068v2 2023-04-10,Pourable and Destroyable Cosmic Ray Radiation Shield for Spacecraft,"Historically, materials such as lead, tungsten, and iron have been used in spacecraft to shield scientific detectors from Cosmic Rays. These materials work well when reentry to Earth is not an issue. The typical strategy is to have a controlled descent of the spacecraft or to have extremely limited shielding, if any, due to the NASA requirement that all impacting parts must impact with no greater than 15J of energy. Given the nature of this mission neither a controlled descent nor having no shielding was not an option. This is the issue Wichita State University nuSOL team is facing for its 3U CubeSat demonstrator. The CubeSat will be equipped with scientific equipment with the purpose of detecting solar neutrinos, and the less background noise from Cosmic Rays the better the study will be. Through simulations, density tests, and burn tests, WSU was able to develop an epoxy based shield doped with either iron or tungsten powder. The simulations were conducted by firing electrons, protons, alpha particles, and oxygen and iron nuclei into the shield material with energies ranging from 1MeV until consistent failure rate using Geant4. The standards for these simulations are the base epoxy at 1.15g per cc to solid steel at 8g per cc . Mixing tests have determined for iron, a density of 4g per cc is achievable, which is 53 percent iron by volume. Tungsten epoxy with a density of 7.5g per cc is more easily achieved, and results in 40 percent tungsten by volume. These ratios are concrete in texture, pourable, and homogeneous.",2304.09177v1 2023-04-19,Fabrication of a 64-Pixel TES Microcalorimeter Array with Iron Absorbers Uniquely Designed for 14.4-keV Solar Axion Search,"If a hypothetical elementary particle called an axion exists, to solve the strong CP problem, a 57Fe nucleus in the solar core could emit a 14.4-keV monochromatic axion through the M1 transition. If such axions are once more transformed into photons by a 57Fe absorber, a transition edge sensor (TES) X-ray microcalorimeter should be able to detect them efficiently. We have designed and fabricated a dedicated 64-pixel TES array with iron absorbers for the solar axion search. In order to decrease the effect of iron magnetization on spectroscopic performance, the iron absorber is placed next to the TES while maintaining a certain distance. A gold thermal transfer strap connects them. We have accomplished the electroplating of gold straps with high thermal conductivity. The residual resistivity ratio (RRR) was over 23, more than eight times higher than a previous evaporated strap. In addition, we successfully electroplated pure-iron films of more than a few micrometers in thickness for absorbers and a fabricated 64-pixel TES calorimeter structure.",2304.09539v1 2023-09-22,Decoding 122-Type Iron-Based Superconductors: A Comprehensive Simulation of Phase Diagrams and Transition Temperatures,"Iron-based superconductors, a cornerstone of low-temperature physics, have been the subject of numerous theoretical models aimed at deciphering their complex behavior. In this study, we present a comprehensive approach that amalgamates several existing models and incorporates experimental data to simulate the superconducting phase diagrams of the principal 122-type iron-based compounds. Our model considers a multitude of factors including the momentum dependence of the superconducting gap, spin-orbital coupling, antiferromagnetism, spin density wave, induced XY potential on the tetrahedral structure, and electron-phonon coupling. We have refined the electron-phonon scattering matrix using experimental angle-resolved photoemission spectroscopy (ARPES) data, ensuring that all electrons pertinent to iron-based superconductivity are accounted for. This innovative approach allows us to calculate theoretical critical temperature Tc values for Ba1-xKxFe2As2, CaFe2As2 and SrFe2As2 as functions of pressure. These calculated values exhibit remarkable agreement with experimental findings. Furthermore, our model predicts that MgFe2As2 remains non-superconducting irrespective of the applied pressure. Given that 122-type superconductivity at low pressure or low doping concentration has been experimentally validated, our combined model serves as a powerful predictive tool for generating superconducting phase diagrams at high pressure. This study underscores that the high transition temperatures and the precise doping and pressure dependence of iron-based superconductors are intrinsically linked to an intertwined mechanism involving a strong interplay between structural, magnetic and electronic degrees of freedom.",2309.12615v1 2023-10-09,Detecting Iron Oxidation States in Liquids with the VOXES Bragg Spectrometer,"Determining the oxidation states of metals assumes great importance in various applications because a variation in the oxidation number can drastically influence the material properties. As an example, this becomes evident in edible liquids like wine and oil, where a change in the oxidation states of the contained metals can significantly modify both the overall quality and taste. To this end, here we present the MITIQO project, which aims to identify oxidation states of metals in edible liquids utilizing X-ray emission with Bragg spectroscopy. This is achieved using the VOXES crystal spectrometer, developed at INFN National Laboratories of Frascati (LNF), employing mosaic crystal (HAPG) in the Von Hamos configuration. This combination allow us to work with effective source sizes of up to a few millimeters and improves the typical low efficiency of Bragg spectroscopy, a crucial aspect when studying liquids with low metal concentration. Here we showcase the concept behind MITIQO, for a liquid solution containing oxidized iron. We performed several high-resolution emission spectra measurements, for the liquid and for different powdered samples containing oxidized and pure iron. By looking at the spectral features of the iron's K$\beta$ emission lineshape, we were able to obtain, for a liquid, a result consistent with the oxidized iron powders and successfully quantifying the effect of oxidation.",2310.06062v1 2024-03-05,"Elemental abundances in the diffuse ISM from joint FUV and X-ray spectroscopy: iron, oxygen, carbon and sulfur","In this study, we investigate interstellar absorption lines along the line of sight toward the galactic low-mass X-ray binary Cygnus X-2. We combine absorption line data obtained from high-resolution X-ray spectra collected with Chandra and XMM-Newton satellites, along with Far-UV absorption lines observed by the Hubble Space Telescope's (HST) Cosmic Origins Spectrograph (COS) Instrument. Our primary objective is to understand the abundance and depletion of oxygen, iron, sulfur, and carbon. To achieve this, we have developed an analysis pipeline that simultaneously fits both the UV and X-ray datasets. This novel approach takes into account the line spread function (LSF) of HST/COS, enhancing the precision of our results. We examine the absorption lines of FeII, SII, CII, and CI present in the FUV spectrum of Cygnus X-2, revealing the presence of at least two distinct absorbers characterized by different velocities. Additionally, we employ Cloudy simulations to compare our findings concerning the ionic ratios for the studied elements. We find that gaseous iron and sulfur exist in their singly ionized forms, Fe II and S II, respectively, while the abundances of CII and CI do not agree with the Cloudy simulations of the neutral ISM. Finally, we explore discrepancies in the X-ray atomic data of iron and discuss their impact on the overall abundance and depletion of iron.",2403.02664v1 1999-07-06,Hysteresis properties at zero temperature in the Dipolar-Random Field Ising Model,"We present a modified two-dimensional random field Ising model, where a dipolar interaction term is added to the classic random field Hamiltonian. In a similar model it was already verified that the system state can exhibit domains in the form of stripe patterns, typical of thin materials with strong perpendicular anisotropy. In this work we show that the hysteresis loops obtained at zero temperature can display a strict similarity with the loops obtained in thin magnetic materials such as garnet films. In our model the processes of domain nucleation and domain wall motion are well separated in time as the system evolves. This remarkable fact allowed us to better understand the nucleation process in this family of spin systems.",9907074v1 2000-03-21,Field induced ordering in highly frustrated antiferromagnets,"We predict that an external field can induce a spin order in highly frustrated classical Heisenberg magnets. We find analytically stabilization of collinear states by thermal fluctuations at a one-third of the saturation field for kagome and garnet lattices and at a half of the saturation field for pyrochlore and frustrated square lattices. This effect is studied numerically for the frustrated square-lattice antiferromagnet by Monte Carlo simulations for classical spins and by exact diagonalization for $S=1/2$. The field induced collinear states have a spin gap and produce magnetization plateaus.",0003343v2 2001-10-10,Modeling Two Dimensional Magnetic Domain Patterns,"Two-dimensional magnetic garnets exhibit complex and fascinating magnetic domain structures, like stripes, labyrinths, cells and mixed states of stripes and cells. These patterns do change in a reversible way when the intensity of an externally applied magnetic field is varied. The main objective of this contribution is to present the results of a model that yields a rich pattern structure that closely resembles what is observed experimentally. Our model is a generalized two-dimensional Ising-like spin-one Hamiltonian with long-range interactions, which also incorporates anisotropy and Zeeman terms. The model is studied numerically, by means of Monte Carlo simulations. Changing the model parameters stripes, labyrinth and/or cellular domain structures are generated. For a variety of cases we display the patterns, determine the average size of the domains, the ordering transition temperature, specific heat, magnetic susceptibility and hysteresis cycle. Finally, we examine the reversibility of the pattern evolution under variations of the applied magnetic field. The results we obtain are in good qualitative agreement with experiment.",0110208v1 2003-07-28,Low temperature spin fluctuations in geometrically frustrated Yb3Ga5O12,"In the garnet structure compound Yb3Ga5O12, the Yb3+ ions (ground state effective spin S' = 1/2) are situated on two interpenetrating corner sharing triangular sublattices such that frustrated magnetic interactions are possible. Previous specific heat measurements evidenced the development of short range magnetic correlations below 0.5K and a lambda-transition at 54mK (Filippi et al. J. Phys. C: Solid State Physics 13 (1980) 1277). From 170-Yb M""ossbauer spectroscopy measurements down to 36mK, we find there is no static magnetic order at temperatures below that of the lambda-transition. Below 0.3K, the fluctuation frequency of the short range correlated Yb3+ moments progressively slows down and as the temperature tends to 0, the frequency tends to a quasi-saturated value of 3 x 10^9 s^-1. We also examined the Yb3+ paramagnetic relaxation rates up to 300K using 172-Yb perturbed angular correlation measurements: they evidence phonon driven processes.",0307676v1 2006-06-05,Multireference Correlation in Long Molecules with the Quadratic Scaling Density Matrix Renormalization Group,"We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial dimensions, this method allows us to obtain an exact characterisation of correlation, in the given basis, with a cost that scales only quadratically with the size of the system. The reduced scaling is achieved solely through integral screening and without the construction of correlation domains. We demonstrate the scaling, convergence, and robustness of the algorithm in polyenes and hydrogen chains. We converge to exact correlation energies (with 1-10 microhartree precision) in all cases and correlate up to 100 electrons in 100 active orbitals. We further use our algorithm to obtain exact energies for the metal-insulator transition in hydrogen chains and compare and contrast our results with those from conventional quantum chemical methods.",0606115v3 2004-05-10,Manifestations of nuclear anapole moments in solid state NMR,"We suggest to use insulating garnets doped by rare earth ions for measurements of nuclear anapole moments. A parity violating shift of the NMR frequency arises due to the combined effect of the lattice crystal field and the anapole moment of the rare-earth nucleus. We show that there are two different observable effects related to frequency: 1) A shift of the NMR frequency in an external electric field applied to the solid. The value of the shift is about \Delta \nu_1 ~ 10^{-5} Hz with E = 10 kV/cm; 2) A splitting of the NMR line into two lines. The second effect is independent of the external electric field. The value of the splitting is about \Delta \nu_2 ~ 0.5 Hz and it depends on the orientation of the crystal with respect to magnetic field. Both estimates are presented for a magnetic field of about 10 tesla. We also discuss a radiofrequency electric field and a static macroscopic magnetization caused by the nuclear anapole moment.",0405043v1 2006-06-22,Band Edge Effects and Normal Mode Propagation in Waveguide Magnetophotonic Crystals,"A study of band edge phenomena in ridge waveguide magnetophotonic crystals is presented. Normal mode analysis is used to examine the near-band edge and Bragg center-wavelength group velocities and their relation to the polarization. Large polarization departures from the input are observed in Bragg gratings patterned by focused-ion-beam milling on liquid-phase-epitaxial (LPE) BiLuIG films on (111) gadolinium gallium garnet (GGG) substrates. Transfer matrix analysis of the spectral response in the photonic crystals allows the determination of the phase of the elliptically polarized normal modes from measured transmittances and polarization rotation. Unlike non-birefringent Faraday rotators a non-linear-relation exists between polarization rotation and the normal mode phase difference. Large phase differences between right- and left-elliptically polarized normal modes and optical slow-down are found near the band edges and at the resonant cavity center-wavelength. Standing-wave photon trapping and optical slow-down are analyzed and compared for these systems.",0606199v2 1996-02-08,Supersymmetry and the Hartmann Potential of Theoretical Chemistry,"The ring-shaped Hartmann potential $ V = \eta \sigma^{2} \epsilon_{0} \left( \frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right) $ was introduced in quantum chemistry to describe ring-shaped molecules like benzene. In this article, the supersymmetric features of the Hartmann potential are discussed. We first review the results of a previous paper in which we rederived the eigenvalues and radial eigenfunctions of the Hartmann potential using a formulation of one-dimensional supersymmetric quantum mechanics (SUSYQM) on the half-line $\left[ 0, \infty \right)$. A reformulation of SUSYQM in the full line $\left( -\infty, \infty \right)$ is subsequently developed. It is found that the second formulation makes a connection between states having the same quantum number $L$ but different values of $\eta \sigma^{2}$ and quantum number $N$. This is in contrast to the first formulation, which relates states with identical values of the quantum number $N$ and $\eta \sigma^{2}$ but different values of the quantum number $L$.",9602005v1 2002-08-01,"Entwined Paths, Difference Equations and the Dirac Equation","Entwined space-time paths are bound pairs of trajectories which are traversed in opposite directions with respect to macroscopic time. In this paper we show that ensembles of entwined paths on a discrete space-time lattice are simply described by coupled difference equations which are discrete versions of the Dirac equation. There is no analytic continuation, explicit or forced, involved in this description. The entwined paths are `self-quantizing'. We also show that simple classical stochastic processes that generate the difference equations as ensemble averages are stable numerically and converge at a rate governed by the details of the stochastic process. This result establishes the Dirac equation in one dimension as a phenomenological equation describing an underlying classical stochastic process in the same sense that the Diffusion and Telegraph equations are phenomenological descriptions of stochastic processes.",0208004v2 2007-07-20,The radical character of the acenes: A density matrix renormalization group study,"We present a detailed investigation of the acene series using high-level wavefunction theory. Our ab-initio Density Matrix Renormalization Group algorithm has enabled us to carry out Complete Active Space calculations on the acenes from napthalene to dodecacene correlating the full pi-valence space. While we find that the ground-state is a singlet for all chain-lengths, examination of several measures of radical character, including the natural orbitals, effective number of unpaired electrons, and various correlation functions, suggests that the longer acene ground-states are polyradical in nature.",0707.3120v1 2007-07-20,Targeted Excited State Algorithms,"To overcome the limitations of the traditional state-averaging approaches in excited state calculations, where one solves for and represents all states between the ground state and excited state of interest, we have investigated a number of new excited state algorithms. Building on the work of van der Vorst and Sleijpen (SIAM J. Matrix Anal. Appl., 17, 401 (1996)), we have implemented Harmonic Davidson and State-Averaged Harmonic Davidson algorithms within the context of the Density Matrix Renormalization Group (DMRG). We have assessed their accuracy and stability of convergence in complete active space DMRG calculations on the low-lying excited states in the acenes ranging from naphthalene to pentacene. We find that both algorithms offer increased accuracy over the traditional State-Averaged Davidson approach, and in particular, the State-Averaged Harmonic Davidson algorithm offers an optimal combination of accuracy and stability in convergence.",0707.3121v1 2007-10-23,Structural relaxation around substitutional Cr3+ in pyrope garnet,"The structural environment of substitutional Cr3+ ion in a natural pyrope Mg3Al2Si3O12 has been investigated by Cr K-edge Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) coupled with first-principles computations. The Cr-O distance is close to that in knorringite Mg3Cr2Si3O12, indicating a full relaxation of the first neighbors. The local C3i symmetry of the octahedral Y site is retained during Cr-Al substitution. The second and third shells of neighbors (Mg and Si) relax only partially. Site relaxation is accommodated by strain-induced bond buckling, with angular tilts of the Si-centered tetrahedra around the Cr-centered octahedron, and by a radial deformation of the Mg-centered dodecahedra.",0710.4189v1 2007-11-09,An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry,"The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.",0711.1398v1 2007-12-14,"Orbital Optimization in the Density Matrix Renormalization Group, with applications to polyenes and β-carotene","In previous work we have shown that the Density Matrix Renormalization Group (DMRG) enables near-exact calculations in active spaces much larger than are possible with traditional Complete Active Space algorithms. Here, we implement orbital optimisation with the Density Matrix Renormalization Group to further allow the self-consistent improvement of the active orbitals, as is done in the Complete Active Space Self-Consistent Field (CASSCF) method. We use our resulting DMRGCASSCF method to study the low-lying excited states of the all-trans polyenes up to C24H26 as well as \beta-carotene, correlating with near-exact accuracy the optimised complete \pi-valence space with up to 24 active electrons and orbitals, and analyse our results in the light of the recent discovery from Resonance Raman experiments of new optically dark states in the spectrum.",0712.2475v2 2008-06-03,Site symmetry and crystal symmetry: a spherical tensor analysis,"The relation between the properties of a specific crystallographic site and the properties of the full crystal is discussed by using spherical tensors. The concept of spherical tensors is introduced and the way it transforms under the symmetry operations of the site and from site to site is described in detail. The law of spherical tensor coupling is given and illustrated with the example of the electric dipole and quadrupole transitions in x-ray absorption spectroscopy. The main application of the formalism is the reduction of computation time in the calculation of the properties of crystals by band structure methods. The general approach is illustrated by the examples of substitutional chromium in spinel and substitutional vanadium in garnet.",0806.0438v1 2009-07-27,Approximating strongly correlated spin and fermion wavefunctions with correlator product states,"We explore correlator product states for the approximation of correlated wavefunctions in arbitrary dimensions. We show that they encompass many interesting states including Laughlin's quantum Hall wavefunction, Huse and Elser's frustrated spin states, and Kitaev's toric code. We further establish their relation to common families of variational wavefunctions, such as matrix and tensor product states and resonating valence bond states. Calculations on the Heisenberg and spinless Hubbard models show that correlator product states capture both two-dimensional correlations (independent of system width) as well as non-trivial fermionic correlations (without sign problems). In one-dimensional simulations, correlator product states appear competitive with matrix product states with a comparable number of variational parameters, suggesting they may eventually provide a route to practically generalise the density matrix renormalisation group to higher dimensions.",0907.4646v3 2010-02-27,Embedding theory for excited states with inclusion of self-consistent environment screening,"We present a general embedding theory of electronic excitations of a relatively small, localized system in contact with an extended, chemically complex environment. We demonstrate how to include the screening response of the environment into highly accurate electronic structure calculation of the localized system by means of an effective interaction between the electrons, which contains only screening processes occurring in the environment. For the common case of a localized system which constitutes an inhomogeneity in an otherwise homogeneous system, such as a defect in a crystal, we show how matrix elements of the environment-screened interaction can be calculated from density-functional calculations of the homogeneous system only. We apply our embedding theory to the calculation of excitation energies in crystalline ethylene.",1003.0102v1 2010-05-15,Coupling between magnon and ligand-field excitations in magnetoelectric Tb3Fe5O12 garnet,"The spectra of far-infrared transmission in Tb3Fe5O12 magnetoelectric single crystals have been studied in the range between 15 and 100 cm-1, in magnetic fields up to 10 T, and for temperatures between 5 and 150 K. We attribute some of the observed infrared-active excitations to electric-dipole transitions between ligand-field split states of Tb3+ ions. Anticrossing between the magnetic exchange excitation and the ligand-field transition occurs at the temperature between 60 and 80 K. The corresponding coupling energy for this interaction is 6 cm-1. Temperature-induced softening of the hybrid IR excitation correlates with the increase of the static dielectric constant. We discuss the possibility for hybrid excitations of magnons and ligand-field states and their possible connection to the magnetoelectric effect in Tb3Fe5O12.",1005.2705v1 2010-08-29,Tensor factorizations of local second-order Møller Plesset theory,"Efficient electronic structure methods can be built around efficient tensor representations of the wavefunction. Here we describe a general view of tensor factorization for the compact representation of electronic wavefunctions. We use these ideas to construct low-complexity representations of the doubles amplitudes in local second order M{\o}ller-Plesset perturbation theory. We introduce two approximations - the direct orbital specific virtual approximation and the full orbital specific virtual approximation. In these approximations, each occupied orbital is associated with a small set of correlating virtual orbitals. Conceptually, the representation lies between the projected atomic orbital representation in Pulay-Saeb{\o} local correlation theories and pair natural orbital correlation theories. We have tested the orbital specific virtual approximations on a variety of systems and properties including total energies, reaction energies, and potential energy curves. Compared to the Pulay-Saeb{\o} ansatz, we find that these approximations exhibit favourable accuracy and computational times, while yielding smooth potential energy curves.",1008.4943v1 2010-08-29,Further developments in correlator product states: deterministic optimization and energy evaluation,"Correlator product states (CPS) are a class of tensor network wavefunctions applicable to strongly correlated problems in arbitrary dimensions. Here, we present a method for optimizing and evaluating the energy of the CPS wavefunction that is non-variational but entirely deterministic. The fundamental assumption underlying our technique is that the CPS wavefunction is an exact eigenstate of the Hamiltonian, allowing the energy to be obtained approximately through a projection of the Schr\""odinger equation. The validity of this approximation is tested on two dimensional lattices for the spin-1/2 antiferromagnetic Heisenberg model, the spinless Hubbard model, and the full Hubbard model. In each of these models, the projected method reproduces the variational CPS energy to within 1%. For fermionic systems, we also demonstrate the incorporation of a Slater determinant reference into the ansatz, which allows CPS to act as a generalization of the Jastrow-Slater wavefunction.",1008.4945v1 2010-12-16,Dynamical mean-field theory from a quantum chemical perspective,"We investigate the dynamical mean-field theory (DMFT) from a quantum chemical perspective. Dynamical mean-field theory offers a formalism to extend quantum chemical methods for finite systems to infinite periodic problems within a local correlation approximation. In addition, quantum chemical techniques can be used to construct new ab-initio Hamiltonians and impurity solvers for DMFT. Here we explore some ways in which these things may be achieved. First, we present an informal overview of dynamical mean-field theory to connect to quantum chemical language. Next we describe an implementation of dynamical mean-field theory where we start from an ab-initio Hartree- Fock Hamiltonian that avoids double counting issues present in many applications of DMFT. We then explore the use of the configuration interaction hierarchy in DMFT as an approximate solver for the impurity problem. We also investigate some numerical issues of convergence within DMFT. Our studies are carried out in the context of the cubic hydrogen model, a simple but challenging test for correlation methods. Finally we finish with some conclusions for future directions.",1012.3609v1 2011-01-18,Uniform Peak Optical Conductivity in Single-Walled Carbon Nanotubes,"Recent measurements in single-walled carbon nanotubes show that, on resonance, all nanotubes display the same peak optical conductivity of approximately 8 $e^2/h$, independent of radius or chirality [Joh \emph{et al.}, \emph{Nature Nanotechnology} \textbf{6}, 51 (2011)]. We show that this uniform peak conductivity is a consequence of the relativistic band structure and strength of the Coulomb interaction in carbon nanotubes. We further construct a minimalist model of exciton dynamics that describes the general phenomenology and provides an accurate prediction of the numerical value of the peak optical conductivity. The work illustrates the need for careful treatment of relaxation mechanisms in modeling the optoelectronic properties of carbon nanotubes.",1101.3546v1 2011-04-22,New Experimental Limit on the Electric Dipole Moment of the Electron in a Paramagnetic Insulator,"We report results of an experimental search for the intrinsic Electric Dipole Moment (EDM) of the electron using a solid-state technique. The experiment employs a paramagnetic, insulating gadolinium gallium garnet (GGG) that has a large magnetic response at low temperatures. The presence of the eEDM would lead to a small but non-zero magnetization as the GGG sample is subject to a strong electric field. We search for the resulting Stark-induced magnetization with a sensitive magnetometer. Recent progress on the suppression of several sources of background allows the experiment to run free of spurious signals at the level of the statistical uncertainties. We report our first limit on the eEDM of $(-5.57 \pm 7.98 \pm 0.12)\times$10$^{-25}$e$\cdot$cm with 5 days of data averaging.",1104.4391v2 2012-03-30,A correlator product state study of molecular magnetism in the giant Keplerate Mo72Fe30,"We have studied the properties of the giant Keplerate molecular magnet Mo72Fe30, as a function of applied magnetic field, using the correlator product state (CPS) tensor network ansatz. The magnet is modeled with an S = 5/2 antiferromagnetic Heisenberg Hamiltonian on the 30-site icosidodecahedron lattice, a model for which exact diagonalization is infeasible. The CPS ansatz produces significant improvements in variational energies relative to previous studies using the density matrix renormalization group, a result of its superior ability to handle strong correlation in two dimensional spin systems. The CPS results reaffirm that the ground state energies adhere qualitatively to the parabolic progression of the rotational band model (RBM), but show important deviations near 1/3 of the saturation field. These deviations predict anomalous behavior in the differential magnetization and heat capacity that cannot be explained by the RBM alone. Finally, we show that these energetic deviations originate from a qualitative change in the ground state that resembles a finite size analogue of a phase transition.",1203.6883v1 2012-04-12,Analytical modeling for the heat transfer in sheared flows of nanofluids,"We developed a model for the enhancement of the heat flux by spherical and elongated nano- particles in sheared laminar flows of nano-fluids. Besides the heat flux carried by the nanoparticles the model accounts for the contribution of their rotation to the heat flux inside and outside the particles. The rotation of the nanoparticles has a twofold effect, it induces a fluid advection around the particle and it strongly influences the statistical distribution of particle orientations. These dynamical effects, which were not included in existing thermal models, are responsible for changing the thermal properties of flowing fluids as compared to quiescent fluids. The proposed model is strongly supported by extensive numerical simulations, demonstrating a potential increase of the heat flux far beyond the Maxwell-Garnet limit for the spherical nanoparticles. The road ahead which should lead towards robust predictive models of heat flux enhancement is discussed.",1204.2694v1 2012-04-25,Density matrix embedding: A simple alternative to dynamical mean-field theory,"We introduce DMET, a new quantum embedding theory for predicting ground-state properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET maps the the bulk interacting system to a simpler impurity model and is exact in the non-interacting and atomic limits. Unlike DMFT, DMET is formulated in terms of the frequency-independent local density matrix, rather than the local Green's function. In addition, it features a finite, algebraically constructible bath of only one bath site per impurity site, which exactly embeds ground-states at a mean-field level with no bath discretization error. Frequency independence and the minimal bath make DMET a computationally simple and very efficient method. We test the theory in the 1D and 2D Hubbard models at and away from half-filling, and we find that compared to benchmark data, total energies, correlation functions, and paramagnetic metal-insulator transitions are well reproduced, at a tiny computational cost.",1204.5783v2 2012-09-04,Origin of the structural phase transition in Li7La3Zr2O12,"Garnet-type Li7La3Zr2O12 (LLZO) is a solid electrolyte material with a low-conductivity tetragonal and a high-conductivity cubic phase. Using density-functional theory and variable cell shape molecular dynamics simulations, we show that the tetragonal phase stability is dependent on a simultaneous ordering of the Li ions on the Li sublattice and a volume-preserving tetragonal distortion that relieves internal structural strain. Supervalent doping introduces vacancies into the Li sublattice, increasing the overall entropy and reducing the free energy gain from ordering, eventually stabilizing the cubic phase. We show that the critical temperature for cubic phase stability is lowered as Li vacancy concentration (dopant level) is raised and that an activated hop of Li ions from one crystallographic site to another always accompanies the transition. By identifying the relevant mechanism and critical concentrations for achieving the high conductivity phase, this work shows how targeted synthesis could be used to improve electrolytic performance.",1209.0690v1 2012-10-04,Striped spin liquid crystal ground state instability of kagome antiferromagnets,"The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities[1-4]. This has been suggested as the reason why it is not strongly supported in large-scale numerical calculations[5]. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dirac spin liquid state which provides new insight into the stability of the ground state of the kagome antiferromagnet. The new state has three remarkable features. First, it breaks both spatial symmetry in an unusual way that may leave spinons deconfined along one direction. Second, it breaks the U(1) gauge symmetry down to $Z_2$. Third, it has the spatial symmetry of a previously proposed ""monopole"" suggesting that it is an instability of the Dirac spin liquid. The state described herein also shares a remarkable similarity to the distortion of the kagome lattice observed at low Zn concentrations in Zn-Paratacamite suggesting it may already be realized in these materials.",1210.1585v1 2012-10-05,"Excited States, Dynamic Correlation Functions and Spectral Properties from Full Configuration Interaction Quantum Monte Carlo","In this communication, we propose a method for obtaining isolated excited states within the Full Configuration Interaction Quantum Monte Carlo framework. This method allows for stable sampling with respect to collapse to lower energy states and requires no uncontrolled approximations. In contrast with most previous methods to extract excited state information from Quantum Monte Carlo methods, this results from a modification to the underlying propagator, and does not require explicit orthogonalization, analytic continuation, transient estimators or restriction of the Hilbert space via a trial wavefunction. Furthermore, we show that the propagator can directly yield frequency-domain correlation functions and spectral functions such as the density of states which are difficult to obtain within a traditional Quantum Monte Carlo framework. We demonstrate this approach with pilot applications to the neon atom and beryllium dimer.",1210.1650v1 2012-11-05,Exact asymptotic behavior of magnetic stripe domain arrays,"The classical problem of magnetic stripe domain behavior in films and plates with uniaxial magnetic anisotropy is treated. Exact analytical results are derived for the stripe domain widths as function of applied perpendicular field, $H$, in the regime where the domain period becomes large. The stripe period diverges as $(H_c-H)^{-1/2}$, where $H_c$ is the critical (infinite period) field, an exact result confirming a previous conjecture. The magnetization approaches saturation as $(H_c-H)^{1/2}$, a behavior which compares excellently with experimental data obtained for a $4 \mu$m thick ferrite garnet film. The exact analytical solution provides a new basis for precise characterization of uniaxial magnetic films and plates, illustrated by a simple way to measure the domain wall energy. The mathematical approach is applicable for similar analysis of a wide class of systems with competing interactions where a stripe domain phase is formed.",1211.1366v1 2012-12-12,Density matrix embedding: A strong-coupling quantum embedding theory,"We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109 186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET allows the many-body embedding of arbitrary fragments of a quantum system, even when such fragments are open systems and strongly coupled to their environment (e.g., by covalent bonds). In DMET, empirical approaches to strong coupling, such as link atoms or boundary regions, are replaced by a small, rigorous quantum bath designed to reproduce the entanglement between a fragment and its environment. We describe the theory and demonstrate its feasibility in strongly correlated hydrogen ring and grid models; these are not only beyond the scope of traditional embeddings, but even challenge conventional quantum chemistry methods themselves. We find that DMET correctly describes the notoriously difficult symmetric dissociation of a 4x3 hydrogen atom grid, even when the treated fragments are as small as single hydrogen atoms. We expect that DMET will open up new ways of treating of complex strongly coupled, strongly correlated systems in terms of their individual fragments.",1212.2679v1 2013-04-15,Off-policy Learning with Eligibility Traces: A Survey,"In the framework of Markov Decision Processes, off-policy learning, that is the problem of learning a linear approximation of the value function of some fixed policy from one trajectory possibly generated by some other policy. We briefly review on-policy learning algorithms of the literature (gradient-based and least-squares-based), adopting a unified algorithmic view. Then, we highlight a systematic approach for adapting them to off-policy learning with eligibility traces. This leads to some known algorithms - off-policy LSTD(\lambda), LSPE(\lambda), TD(\lambda), TDC/GQ(\lambda) - and suggests new extensions - off-policy FPKF(\lambda), BRM(\lambda), gBRM(\lambda), GTD2(\lambda). We describe a comprehensive algorithmic derivation of all algorithms in a recursive and memory-efficent form, discuss their known convergence properties and illustrate their relative empirical behavior on Garnet problems. Our experiments suggest that the most standard algorithms on and off-policy LSTD(\lambda)/LSPE(\lambda) - and TD(\lambda) if the feature space dimension is too large for a least-squares approach - perform the best.",1304.3999v1 2013-12-11,Cs2NaAl1-xCrxF6: A family of compounds presenting magnetocaloric effect,"In this paper we explore the magnetocaloric effect (MCE) of chromium-doped elpasolite Cs$_2$NaAl$_{1-x}$Cr$_x$F$_6$ (x = 0.01 and 0.62) single crystals. Our magnetization and heat capacity data show the magnetocaloric potentials to be comparable to those of garnets, perovskites and other fluorides, producing magnetic entropy changes of 0.5 J/kg$\cdot$K (x = 0.01) and 11 J/kg$\cdot$K (x = 0.62), and corresponding adiabatic temperature changes of 4 K and 8 K, respectively. These values are for a magnetic field change of 5 T at a temperature around 3 K. A clear Schottky anomaly below 10 K, which becomes more apparent when an external magnetic field is applied, was observed and related to the splitting of the Cr$^{3+}$ energy levels. These results hint at a new family of materials with potential wide use in cryorefrigeration.",1312.3014v2 2014-05-04,Quasi-three-level laser emission of neodymium doped disordered crystal waveguides,"This paper reports on the quasi-three-level continuous wave laser operation based on waveguide structures in neodymium doped calcium niobium gallium garnet disordered crystal. Laser wavelength selection through the waveguide cross section was observed. Waveguide structures with different cross sections were fabricated by the ultrafast laser inscription, which have propagation losses around 1 dB/cm. With suitable pumping conditions, laser emissions were observed at the low-wavelengths of ~930 nm and ~890 nm. The lasing threshold for the low-wavelength emission was around 50 mW, which is far below the threshold of several watts reported in the bulk laser system. In addition, it was found the laser generation at the wavelength of ~890 nm has direct relationship with the volume of the waveguide structure. The results suggest advantages of the waveguide platforms over the bulk systems on the low-wavelength laser emission.",1405.0704v1 2014-08-21,A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states,"We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order wavefunctions so obtained can also be used to compute the third order energy with little overhead. Our formulation has several advantages including (i) flexibility with respect to the choice of zeroth order Hamiltonian, (ii) recovery of the exact uncontracted multi-reference perturbation theory energies in the limit of large MPS bond dimension, (iii) no requirement to compute high body density matrices, (iv) an embarrassingly parallel algorithm (scaling up to the number of virtual orbitals, squared, processors). Preliminary numerical examples show that the MPS bond dimension required for accurate first order wavefunctions scales sub-linearly with the size of the basis.",1408.5092v1 2014-10-26,Twisted Conjugacy in Houghton's groups,"For a fixed $n\ge2$, the Houghton group $H_n$ consists of bijections of $X_n=\{1,\ldots,n\} \times \mathbb{N}$ that are `eventually translations' of each copy of $\mathbb{N}$. The Houghton groups have been shown to have solvable conjugacy problem. In general solvable conjugacy problem does not imply that all finite extensions and finite index subgroups have solvable conjugacy problem. Our main theorem is that a stronger result holds: for any $n\ge2$ and any group $G$ commensurable to $H_n$, $G$ has solvable conjugacy problem.",1410.7051v6 2014-11-01,A transformed framework for dynamic correlation in multireference problems,"We describe how multirefence dynamic correlation theories can be naturally obtained as single-reference correlation theories in a canonically transformed frame. Such canonically transformed correlation theories are very simple and involve identical expressions to their single-reference counterparts. The corresponding excitations involve quasiparticles rather than the bare particles of the system. High-order density matrices (or their approximations) and the numerical metric instabilities common to multireference correlation theories do not appear. As an example, we formulate the Bogoliubov canonically transformed version of second-order M{\o}ller-Plesset perturbation theory and demonstrate its performance in hydrogen, water, nitrogen, and BeH$_2$ bond dissociation.",1411.0067v4 2015-01-14,Dispersionless spin waves in Gadolinium Gallium Garnet,"We report the results of neutron scattering on a powder sample of Gd3Ga5O12 at high magnetic fields. We find that in high fields (B>1.8 T) the system is not fully polarized, but has a small canting of the moments induced by the dipolar interaction. We show that the degree of canting is accurately predicted by the standard Hamiltonian which includes the dipolar interaction. The inelastic scattering is dominated at large momentum transfers by a band of almost dispersionless excitations. We show that these correspond to the spin waves localized on ten site rings, expected for a system described by a nearest neighbor interaction, and that the spectrum at high fields B>1.8 T is well-described by a spin wave theory. The phase for fields <1.8 T is characterized by an antiferromagnetic Bragg peak at (210) and an incommensurate peak.",1501.03493v1 2015-01-28,Interplay of disorder and geometrical frustration in doped Gadolinium Gallium Garnet,"The geometrically-frustrated, triangular antiferromagnet GGG exhibits a rich mix of short-range order and isolated quantum states. We investigate the effects of up to 1% Neodymium substitution for Gallium on the ac magnetic response at temperatures below 1 K in both the linear and nonlinear regimes. Substitutional disorder actually drives the system towards a more perfectly frustrated state, apparently compensating for the effect of imperfect Gadolinium/Gallium stoichiometry, while at the same time more closely demarcating the boundaries of isolated, coherent clusters composed of hundreds of spins. Optical measurements of the local Nd environment substantiate the picture of an increased frustration index with doping.",1501.07229v1 2015-04-02,Search for exotic short-range interactions using paramagnetic insulators,"We describe a proposed experimental search for exotic spin-coupled interactions using a solid-state paramagnetic insulator. The experiment is sensitive to the net magnetization induced by the exotic interaction between the unpaired insulator electrons with a dense, non-magnetic mass in close proximity. An existing experiment has been used to set limits on the electric dipole moment of the electron by probing the magnetization induced in a cryogenic gadolinium gallium garnet sample on application of a strong electric field. With suitable additions, including a movable source mass, this experiment can be used to explore ""monopole-dipole"" forces on polarized electrons with unique or unprecedented sensitivity. The solid-state, non-magnetic construction, combined with the low-noise conditions and extremely sensitive magnetometry available at cryogenic temperatures could lead to a sensitivity over ten orders of magnitude greater than exiting limits in the range below 1 mm.",1504.00552v2 2015-04-08,Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory,"We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites. We provide an error model to estimate the reliability of the computations and complexity of the physics at different points in the diagram. We find superconductivity in the ground-state as well as competition between inhomogeneous charge, spin, and pairing states at low doping. The estimated errors in the study are below T$_c$ in the cuprates and on the scale of contributions in real materials that are neglected in the Hubbard model.",1504.01784v3 2015-07-07,Fast and rewritable colloidal assembly via field synchronized particle swapping,"We report a technique to realize reconfigurable colloidal crystals by using the controlled motion of particle defects above an externally modulated magnetic substrate. The transport of particles is induced by applying a uniform rotating magnetic field to a ferrite garnet film characterized by a periodic lattice of magnetic bubbles. For filling factor larger than one colloid per bubble domain, the particle current arises from propagating defects where particles synchronously exchange their position when passing from one occupied domain to the next. The amplitude of an applied alternating magnetic field can be used to displace the excess particles via a swapping mechanism, or to mobilize the entire colloidal system at a predefined speed.",1507.01964v1 2015-12-14,Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the $GW$ and Related Approximations,"We use, for the first time, ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas at a Wigner-Seitz radius of $r_\mathrm{s}=4$. The coupled-cluster approximations we employ go significantly beyond the diagrammatic content of state-of-the-art $GW$ theory. We compare our calculations extensively to $GW$ and $GW$-plus-cumulant theory, illustrating the strengths and weaknesses of these methods in capturing the quasiparticle and satellite features of the electron gas. Our accurate calculations further allow us to address the long-standing debate over the occupied bandwidth of metallic sodium. Our findings indicate that the future application of coupled-cluster theory to condensed phase material spectra is highly promising.",1512.04556v2 2015-12-26,"N-electron valence state perturbation theory based on a density matrix renormalization group reference function, with applications to the chromium dimer and poly-p-phenylene vinylene oligomer","The strongly-contracted variant of second order N -electron valence state perturbation theory (NEVPT2) is an efficient perturbative method to treat dynamic correlation without the problems of intruder states or level shifts, while the density matrix renormalization group (DMRG) provides the capability to tackle static correlation in large active spaces. We present a combination of the DMRG and strongly-contracted NEVPT2 (DMRG-SC-NEVPT2) that uses an efficient algorithm to compute high order reduced density matrices from DMRG wave functions. The capabilities of DMRG-SC-NEVPT2 are demonstrated on calculations of the chromium dimer potential energy curve at the basis set limit, and the excitation energies of poly-p-phenylene vinylene trimer (PPV(n=3)).",1512.08137v4 2016-03-21,Hybrid graphene/silicon integrated optical isolators with photonic spin-orbit interaction,"Optical isolators are an important building block in photonic computation and communication. In traditional optics, isolators are realized with magneto-optical garnets. However, it remains challenging to incorporate such materials on an integrated platform because of the difficulty in material growth and bulky device footprint. Here, we propose an ultracompact integrated isolator by exploiting graphene's magneto-optical property on a silicon-on-insulator platform. The photonic nonreciprocity is achieved because the cyclotrons in graphene experiencing different optical spin exhibit different response to counterpropagating light. Taking advantage of cavity resonance effects, we have numerically optimized a device design, which shows excellent isolation performance with the extinction ratio over 45 dB and the insertion loss around 12 dB at a wavelength near 1.55 um. Featuring graphene's CMOS compatibility and substantially reduced device footprint, our proposal sheds light to monolithic integration of nonreciprocal photonic devices.",1603.06332v1 2016-03-28,A practical guide to density matrix embedding theory in quantum chemistry,"Density matrix embedding theory (DMET) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. We also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample S$_{\text{N}}$2 reaction. The source code for the calculations in this work can be obtained from \url{https://github.com/sebwouters/qc-dmet}.",1603.08443v2 2016-03-31,Five years of density matrix embedding theory,"Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. In contrast to most embedding methods, DMET explicitly allows for quantum entanglement between both. In this chapter, we discuss both the ground-state and response theory formulations of DMET, and review several applications. In addition, a proof is given that the local density of states can be obtained by working with a Fock space of bath orbitals.",1605.05547v1 2016-05-27,The Effect of Tetrahedral versus Octahedral Network-Blocking Atom Substitutions on Lithium Ion Conduction in LLZO Garnet,"Molecular dynamics calculations are carried out on pure, Al-substituted, and In-substituted LLZO. The calculations show that the tendency of Al to occupy the 24d sites in LLZO lithium ion conductors is hypothesized here to negatively impact ionic conductivity. The room-temperature ionic conductivity of In-LLZO, in which the In resides at the 48g sites, is predicted to be an order of magnitude higher than Al-LLZO. Consideration of the simple tetrahedral topology of the lithium ion conduction network suggests that the increased conductivity arises because the 48g site sits at a bridge in the lithium ion conduction network. An immobile ion residing in this location blocks fewer lithium conduction pathways than an ion, such as Al, that preferentially occupies the 24d site located at a node within the network. In addition, the electronic structure calculations presented here indicate no large difference in the stabilities of tetragonal and cubic phases for the aluminum-substituted and indium-substituted compounds. In both cases, the cubic phase is more stable than the tetragonal phase. This indicates that it should be possible to make a cubic In-LLZO phase with significant conductivity enhancement over the cubic Al-LLZO phase.",1605.08598v1 2016-06-18,Enhanced diffusion and anomalous transport of magnetic colloids driven above a two-state flashing potential,"We combine experiment and theory to investigate the diffusive and subdiffusive dynamics of paramagnetic colloids driven above a two-state flashing potential. The magnetic potential was realized by periodically modulating the stray field of a magnetic bubble lattice in a uniaxial ferrite garnet film. At large amplitudes of the driving field, the dynamics of particles resembles an ordinary random walk with a frequency-dependent diffusion coefficient. However, subdiffusive and oscillatory dynamics at short time scales is observed when decreasing the amplitude. We present a persistent random walk model to elucidate the underlying mechanism of motion, and perform numerical simulations to demonstrate that the anomalous motion originates from the dynamic disorder in the structure of the magnetic lattice, induced by slightly irregular shape of bubbles.",1606.05783v1 2016-07-19,Electrical detection of spiral spin structures in Pt|Cu_2OSeO_3 heterostructures,"The interaction between the itinerant spins in metals and localized spins in magnetic insulators thus far has only been explored in collinear spin systems, such as garnets. Here, we report the spin-Hall magnetoresistance (SMR) sensitive to the surface magnetization of the spin-spiral material, Cu_2OSeO_3. We experimentally demonstrate that the angular dependence of the SMR changes drastically at the transition between the helical spiral and the conical spiral phases. Furthermore, the sign and magnitude of the SMR in the conical spiral state are controlled by the cone angle. We show that this complex behaviour can be qualitatively explained within the SMR theory initially developed for collinear magnets. In addition, we studied the spin Seebeck effect (SSE), which is sensitive to the bulk magnetization. It originates from the conversion of thermally excited low-energy spin waves in the magnet, known as magnons, into the spin current in the adjacent metal contact (Pt). The SSE displays unconventional behavior where not only the magnitude but also the phase of the SSE vary with the applied magnetic field.",1607.05630v1 2016-08-03,Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach,"A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for arbitrary crystal structures is derived from the master equation. A general numerical approach to the vacancy lattice Green function reduces to the sum of a few analytic functions and numerical integration of a smooth function over the Brillouin zone for arbitrary crystals. The Dyson equation solves for the Green function in the presence of a solute with arbitrary but finite interaction range to compute the transport coefficients accurately, efficiently and automatically, including cases with very large differences in solute-vacancy exchange rates. The methodology takes advantage of the space group symmetry of a crystal to reduce the complexity of the matrix inversion in the Dyson equation. An open-source implementation of the algorithm is available, and numerical results are presented for the convergence of the integration error of the bare vacancy Green function, and tracer correlation factors for a variety of crystals including wurtzite (hexagonal diamond) and garnet.",1608.01252v2 2016-08-11,Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: a study with an auxiliary-field quantum Monte Carlo solver,"We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation (DCA-DMET). Both methods are applied to the half-filled one- and two-dimensional Hubbard models using a sign-problem free auxiliary-field quantum Monte Carlo (AFQMC) impurity solver, which allows for the treatment of large impurity clusters of up to 100 sites. While CDMET is more accurate at smaller impurity cluster sizes, DCA- DMET exhibits faster asymptotic convergence towards the thermodynamic limit (TDL). We use our two formulations to produce new accurate estimates for the energy and local moment of the two-dimensional Hubbard model for U/t = 2, 4, 6. These results compare favourably with the best data available in literature, and help resolve earlier uncertainties in the moment for U/t = 2.",1608.03316v1 2016-10-14,Bidirectional particle transport and size selective sorting of Brownian particles in a flashing spatially periodic energy landscape,"We demonstrate a size sensitive experimental scheme which enables bidirectional transport and fractionation of paramagnetic colloids in a fluid medium. It is shown that two types of magnetic colloidal particles with different sizes can be simultaneously transported in opposite directions, when deposited above a stripe-patterned ferrite garnet film subjected to a square-wave magnetic modulation. Due to their different sizes, the particles are located at distinct elevations above the surface, and they experience two different energy landscapes, generated by the modulated magnetic substrate. By combining theoretical arguments and numerical simulations, we reveal such energy landscapes, which fully explain the bidirectional transport mechanism. The proposed technique does not require pre-imposed channel geometries such as in conventional microfluidics or lab-on-a-chip systems, and permits remote control over the particle motion, speed and trajectory, by using relatively low intense magnetic fields.",1610.04380v1 2016-10-26,A general second order complete active space self-consistent-field solver for large-scale systems,"We present a new second order complete active space self-consistent field implementation to converge wavefunctions for both large active spaces and large atomic orbital (AO) bases. Our algorithm decouples the active space wavefunction solver from the orbital optimization in the microiterations, and thus may be easily combined with various modern active space solvers. We also introduce efficient approximate orbital gradient and Hessian updates, and step size determination. We demonstrate its capabilities by calculating the low-lying states of the Fe(\Roman{2})-porphine complex with modest resources using a density matrix renormalization group solver in a CAS(22,27) active space and a 3000 AO basis.",1610.08394v2 2016-12-02,Tiny adiabatic-demagnetization refrigerator for a commercial superconducting quantum interference device magnetometer,"A tiny adiabatic-demagnetization refrigerator (T-ADR) has been developed for a commercial superconducting quantum interference device magnetometer [Magnetic Property Measurement System (MPMS) from Quantum Design]. The whole T-ADR system is fit in a cylindrical space of the diameter $8.5$ mm and the length $250$ mm, and can be inserted into the narrow sample tube of MPMS. A sorption pump is self-contained in T-ADR, and hence no complex gas handling system is necessary. With the single crystalline Gd$_3$Ga$_5$O$_{12}$ garnet ($\sim 2$ grams) used as a magnetic refrigerant, the routinely achievable lowest temperature is $\sim 0.56$ K. The lower detection limit for a magnetization anomaly is $\sim 1 \times 10^{-7}$ emu, estimated from fluctuation of the measured magnetization. The background level is $\sim 5 \times 10^{-5}$ emu below 2 K at $H = 100$ Oe, which is largely attributable to a contaminating paramagnetic signal from the magnetic refrigerant.",1612.01376v1 2016-12-31,Stripe order in the underdoped region of the two-dimensional Hubbard model,"Competing inhomogeneous orders are a central feature of correlated electron materials including the high-temperature superconductors. The two- dimensional Hubbard model serves as the canonical microscopic physical model for such systems. Multiple orders have been proposed in the underdoped part of the phase diagram, which corresponds to a regime of maximum numerical difficulty. By combining the latest numerical methods in exhaustive simulations, we uncover the ordering in the underdoped ground state. We find a stripe order that has a highly compressible wavelength on an energy scale of a few Kelvin, with wavelength fluctuations coupled to pairing order. The favored filled stripe order is different from that seen in real materials. Our results demonstrate the power of modern numerical methods to solve microscopic models even in challenging settings.",1701.00054v3 2017-01-27,The Python-based Simulations of Chemistry Framework (PySCF),"PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range of tools to support simulations of finite size systems, extended systems with periodic boundary conditions, low dimensional periodic systems, and custom Hamiltonians, using mean-field and post-mean-field methods with standard Gaussian basis functions. To ensure easy of extensibility, PySCF uses the Python language to implement almost all its features, while computationally critical paths are implemented with heavily optimized C routines. Using this combined Python/C implementation, the package is as efficient as the best existing C or Fortran based quantum chemistry programs. In this paper we document the capabilities and design philosophy of the current version of the PySCF package.",1701.08223v2 2017-03-31,Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes,"In earlier work [J. Chem. Phys. 144, 064102 (2016)], we introduced a time-dependent formulation of the second-order N-electron valence perturbation theory (t-NEVPT2) which (i) had a lower computational scaling than the usual internally-contracted perturbation formulation, and (ii) yielded the fully uncontracted NEVPT2 energy. Here, we present a combination of t-NEVPT2 with a matrix product state (MPS) reference wavefunction (t-MPS-NEVPT2) that allows to compute uncontracted dynamic correlation energies for large active spaces and basis sets, using the time-dependent density matrix renormalization group (td-DMRG) algorithm. In addition, we report a low-scaling MPS-based implementation of strongly-contracted NEVPT2 (sc-MPS-NEVPT2) that avoids computation of the four-particle reduced density matrix. We use these new methods to compute the dissociation energy of the chromium dimer and to study the low-lying excited states in all-trans polyenes (C$_4$H$_6$ to C$_{24}$H$_{26}$), incorporating dynamic correlation for reference wavefunctions with up to 24 active electrons and orbitals.",1703.10830v3 2017-05-16,Bloch line dynamics within moving domain walls in 3D ferromagnets,"We study field-driven magnetic domain wall dynamics in garnet strips by large-scale three-dimensional micromagnetic simulations. The domain wall propagation velocity as a function of the applied field exhibits a low-field linear part terminated by a sudden velocity drop at a threshold field magnitude, related to the onset of excitations of internal degrees of freedom of the domain wall magnetization. By considering a wide range of strip thicknesses from 30 nm to 1.89 $\mu$m, we find a non-monotonic thickness dependence of the threshold field for the onset of this instability, proceeding via nucleation and propagation of Bloch lines within the domain wall. We identify a critical strip thickness above which the velocity drop is due to nucleation of horizontal Bloch lines, while for thinner strips and depending on the boundary conditions employed, either generation of vertical Bloch lines, or close-to-uniform precession of the domain wall internal magnetization takes place. For strips of intermediate thicknesses, the vertical Bloch lines assume a deformed structure due to demagnetizing fields at the strip surfaces, breaking the symmetry between the top and bottom faces of the strip, and resulting in circulating Bloch line dynamics along the perimeter of the domain wall.",1705.05642v1 2017-06-29,Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians,"We study the dynamical density matrix renormalization group (DDMRG) and time-dependent density matrix renormalization group (td-DMRG) algorithms in the ab initio context, to compute dynamical correlation functions of correlated systems. We analyze the strengths and weaknesses of the two methods in small model problems, and propose two simple improved formulations, DDMRG$^{++}$ and td-DMRG$^{++}$, that give increased accuracy at the same bond dimension, at a nominal increase in cost. We apply DDMRG$^{++}$ to obtain the oxygen core-excitation energy in the water molecule in a quadruple-zeta quality basis, which allows us to estimate the remaining correlation error in existing coupled cluster results. Further, we use DDMRG$^{++}$ to compute the local density of states and gaps, and td-DMRG$^{++}$ to compute the complex polarization function, in linear hydrogen chains with up to 50 H atoms, to study metallicity and delocalization as a function of bond-length.",1706.09537v2 2017-08-01,Importance sampling large deviations in nonequilibrium steady states. I,"Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states, and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult, because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.",1708.00459v2 2017-08-13,Experimental study of antiferromagnetic resonance in noncollinear antiferromagnet Mn$_{3}$Al$_{2}$Ge$_{3}$O$_{12}$,"We have measured antiferromagnetic resonance (AFMR) frequency-field dependences for aluminum-manganese garnet Mn$_{3}$Al$_{2}$Ge$_{3}$O$_{12}$ at frequencies from 1 to 125 GHz and at the fields up to 60 kOe. Three AFMR modes were observed for all orientations, their zero field gaps are about 40 and 70 GHz. Andreev-Marchenko hydrodynamic theory [Sov. Phys. Usp. 130, 39 (1980)] well describes experimental frequency-field dependences. We have observed hysteresis of resonance absorption as well as history dependence of resonance absorption near gap frequencies below 10 kOe in all three measured field orientations, which are supposedly due to the sample domain structure. Observation of the AFMR signal at the frequencies from 1 to 5 GHz allows to estimate repulsion of nuclear and electron modes of spin precession in the vicinity of spin-reorientation transition at H||[100].",1708.03961v1 2017-08-16,Anisotropic phase diagram and spin fluctuations of the hyperkagome magnet Gd3Ga5O12 as revealed by sound velocity measurements,"Sound velocity and attenuation measurements on the frustrated garnet material Gd3Ga5O12 (GGG) are presented as a function of field and temperature, using two different acoustic modes and with two different magnetic field orientations: [100] and [110]. We demonstrate that the phase diagram is highly anisotropic, with two distinct field-induced ordered phases for H||[110] and only one for H||[100]. Extensive lattice softening is found to occur at low fields, which can be associated with spin fluctuations. However, deep within the spin liquid phase a low-temperature stiffening of the lattice and reduced attenuation provides evidence for a spin gap which may be related to short-range antiferromagnetic correlations over minimal 10-spin loops.",1708.04916v2 2017-08-30,Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics,"We describe a framework to significantly reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponentially complexity of such calculations. We illustrate the method by studying driven diffusions and interacting lattice models in one and two dimensions. Our work offers an avenue to calculate large deviation functions for high dimensional systems driven far from equilibrium.",1708.09482v4 2017-09-06,Superposition as a Relativistic Filter,"By associating a binary signal with the relativistic worldline of a particle, a binary form of the phase of non-relativistic wavefunctions is naturally produced by time dilation. An analog of superposition also appears as a Lorentz filtering process, removing paths that are relativistically inequivalent. In a model that includes a stochastic component, the free-particle Schr\""{o}dinger equation emerges from a completely relativistic context in which its origin {\em and function} is known. The result establishes the fact that the phase of wavefunctions in Schr\""{o}dinger's equation and the attendant superposition principle may both be considered remnants of time dilation. This strongly argues that quantum mechanics has its origins in special relativity.",1709.02022v1 2017-10-23,Frequency and wavenumber selective excitation of spin waves through coherent energy transfer from elastic waves,"Using spin-wave tomography (SWaT), we have investigated the excitation and the propagation dynamics of optically-excited magnetoelastic waves, i.e. hybridized modes of spin waves and elastic waves, in a garnet film. By using time-resolved SWaT, we reveal the excitation dynamics of magnetoelastic waves through coherent-energy transfer between optically-excited pure-elastic waves and spin waves via magnetoelastic coupling. This process realizes frequency and wavenumber selective excitation of spin waves at the crossing of the dispersion relations of spin waves and elastic waves. Finally, we demonstrate that the excitation mechanism of the optically-excited pure-elastic waves, which are the source of the observed magnetoelastic waves, is dissipative in nature.",1710.08087v2 2017-10-27,Nuclear Magnetic Resonance in Noncollinear Antiferromagnet Mn3Al2Ge3O12,"The 55Mn nuclear magnetic resonance spectrum of noncollinear 12-sublattice antiferromagnet Mn3Al2Ge3O12 has been studied in the frequency range of 200 - 640 MHz in the external magnetic field H || [001]} at T=1.2 K. Three absorption lines have been observed in fields less than the field of the reorientation transition Hc at the polarization h||H of the rf field. Two lines have been observed at H > Hc and h_|_H. The spectral parameters indicate that the magnetic structure of manganese garnet differs slightly from the exchange triangular 120-degree structure. The anisotropy of the spin reduction and (or) weak antiferromagnetism that are allowed by the crystal symmetry lead to the difference of approximately 3% in the magnetization of sublattices in the field H < Hc. When the spin plane rotates from the orientation perpendicular to the C3 axis to the orientation perpendicular to the C4 axis, all magnetic moments of the electronic subsystem decrease by approximately 2% from the average value in the zero field.",1710.10048v1 2017-11-13,Quantum Simulation of Electronic Structure with Linear Depth and Connectivity,"As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show that by using an arrangement of gates that we term the fermionic swap network, we can simulate a Trotter step of the electronic structure Hamiltonian in exactly $N$ depth and with $N^2/2$ two-qubit entangling gates, and prepare arbitrary Slater determinants in at most $N/2$ depth, all assuming only a minimal, linearly connected architecture. We conjecture that no explicit Trotter step of the electronic structure Hamiltonian is possible with fewer entangling gates, even with arbitrary connectivities. These results represent significant practical improvements on the cost of most Trotter based algorithms for both variational and phase estimation based simulation of quantum chemistry.",1711.04789v2 2017-12-04,Phase-resolved Spin-Wave Tomography,"The propagation dynamics of spin waves are represented by their dispersion relations. Recently, we have developed a method, called spin-wave tomography (SWaT), to obtain dispersion relation of spin waves in the long wavelength regime, so-called pure magnetostatic waves. In our previous studies on SWaT, phase information of spin waves was disregarded. In this report, we demonstrate an advanced SWaT analysis, called phase-resolved spin-wave tomography (PSWaT), to realize the direct observation of the amplitude and the phase of spin waves. The PSWaT spectra are obtained by separating the real and the imaginary components of the complex Fourier transform in the SWaT analysis. We demonstrate the PSWaT spectra of spin waves excited by the photo-induced demagnetization in a Bi-doped garnet film, reflecting the characteristic features of the complex dynamical susceptibility affected by magnetostatic coupling in the film.",1712.00927v2 2017-12-05,Surface plasmon-mediated nanoscale localization of laser-driven sub-THz spin dynamics in magnetic dielectrics,"Ultrafast all-optical control of spins with femtosecond laser pulses is one of the hot topics at the crossroads of photonics and magnetism with a direct impact on future magnetic recording. Unveiling light-assisted recording mechanisms for an increase of the bit density beyond the diffraction limit without excessive heating of the recording medium is an open challenge. Here we show that surface plasmon-polaritons in hybrid metal-dielectric structures can provide spatial confinement of the inverse Faraday effect, mediating the excitation of localized coherent spin precession with 0.41 THz frequency. We demonstrate a two orders of magnitude enhancement of the excitation efficiency at the surface plasmon resonance within the 100 nm layer in dielectric garnet. Our findings broaden the horizons of ultrafast spin-plasmonics and open pathways towards non-thermal opto-magnetic recording at the nano-scale.",1712.01617v1 2017-12-27,Progress on the design of a perpendicularly biased 2nd harmonic cavity for the Fermilab Booster,"A perpendicularly biased 2nd harmonic cavity is being designed and built for the Fermilab Booster. Its purpose is to flatten the bucket at injection and thus change the longitudinal beam distribution to decrease space charge effects. It can also help at extraction. The cavity frequency range is 76 - 106 MHz. The power amplifier will be built using the Y567B tetrode, which is also used for the fundamental mode cavities in the Fermilab Booster. We discuss recent progress on the cavity, the biasing solenoid design and plans for testing the tuner's garnet material.",1712.09637v1 2018-03-21,180-degree phase shift of magnetoelastic waves observed by phase-resolved spin-wave tomography,"We have investigated optically-excited magnetoelastic waves by phase-resolved spin-wave tomography (PSWaT). PSWaT reconstructs dispersion relation of spin waves together with their phase information by using time-resolved magneto-optical imaging for spin-wave propagation followed by an analysis based on the convolution theorem and a complex Fourier transform. In PSWaT spectra for a Bi-doped garnet film, we found a 180 degree phase shift of magnetoelastic waves at around the crossing of the dispersion relations of spin and elastic waves. The result is explained by a coupling between spin waves and elastic waves through magnetoelastic interaction. We also propose an efficient way for phase manipulation of magnetoelastic waves by rotating the orientation of magnetization less than 10 degree.",1803.07697v1 2018-04-14,Particle Morphology and Lithium Segregation to Surfaces of the Li$_7$La$_3$Zr$_2$O$_{12}$ Solid Electrolyte,"Solid electrolytes for solid-state Li-ion batteries are stimulating considerable interest for next-generation energy storage applications. The Li$_7$La$_3$Zr$_2$O$_{12}$ garnet-type solid electrolyte has received appreciable attention as a result of its high ionic conductivity. However, several challenges for the successful application of solid-state devices based on Li$_7$La$_3$Zr$_2$O$_{12}$ remain, such as dendrite formation and maintaining physical contact at interfaces over many Li intercalation/extraction cycles. Here, we apply first-principles density functional theory to provide insights into the Li$_7$La$_3$Zr$_2$O$_{12}$ particle morphology under various physical and chemical conditions. Our findings indicate Li segregation at the surfaces, suggesting Li-rich grain boundaries at typical synthesis and sintering conditions. On the basis of our results, we propose practical strategies to curb Li segregation at the Li$_7$La$_3$Zr$_2$O$_{12}$ interfaces. This approach can be extended to other Li-ion conductors for the design of practical energy storage devices.",1804.05165v1 2018-06-19,Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature,"We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spectra of molecular aggregates. Our implementation is within a matrix product state/operator framework with an explicit treatment of the excitonic and vibrational degrees of freedom, and uses the locality of the Hamiltonian in the zero-exciton space to improve the efficiency and accuracy of the calculations. We demonstrate the power of the method by calculations on several molecular aggregate models, comparing our results against those from multi-layer multiconfiguration time- dependent Hartree and n-particle approximations. We find that TD-DMRG provides an accurate and efficient route to calculate the spectrum of molecular aggregates.",1806.07443v2 2018-07-22,Efficient representation of long-range interactions in tensor network algorithms,"We describe a practical and efficient approach to represent physically realistic long-range interactions in two-dimensional tensor network algorithms via projected entangled-pair operators (PEPOs). We express the long-range interaction as a linear combination of correlation functions of an auxiliary system with only nearest-neighbor interactions. To obtain a smooth and radially isotropic interaction across all length scales, we map the physical lattice to an auxiliary lattice of expanded size. Our construction yields a long-range PEPO as a sum of ancillary PEPOs, each of small, constant bond dimension. This representation enables efficient numerical simulations with long-range interactions using projected entangled pair states.",1807.08378v2 2018-07-26,A time-dependent formulation of coupled cluster theory for many-fermion systems at finite temperature,"We present a time-dependent formulation of coupled cluster theory. This theory allows for direct computation of the free energy of quantum systems at finite temperature by imaginary time integration and is closely related to the thermal cluster cumulant theory of Mukherjee and co-workers. Our derivation highlights the connection to perturbation theory and zero-temperature coupled cluster theory. We show explicitly how the finite-temperature coupled cluster singles and doubles amplitude equations can be derived in analogy with the zero-temperature theory and how response properties can be efficiently computed using a variational Lagrangian. We discuss the implementation for realistic systems and showcase the potential utility of the method with calculations of the exchange correlation energy of the uniform electron gas at warm dense matter conditions.",1807.09961v2 2018-08-28,The FNAL Booster 2nd Harmonic RF Cavity,"A second harmonic RF cavity which uses perpendicularly biased garnet for frequency tuning is currently being constructed for use in the Fermilab Booster. The cavity will operate at twice the fundamental RF frequency, from ~76 - 106 MHz, and will be turned on only during injection, and transition or extraction. Its main purpose is to reduce beam loss as required by Fermilab's Proton Improvement Plan (PIP). After three years of optimization and study, the cavity design has been finalized and all constituent parts have been received. We discuss the design aspects of the cavity and its associated systems, component testing, and status of the cavity construction.",1808.09513v1 2018-09-27,The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations,"We report that a recent active space model of the nitrogenase FeMo cofactor, proposed in the context of quantum simulations, is not representative of the electronic structure of the FeMo cofactor ground-state. Although quantum resource estimates, outside of the cost of adiabatic state preparation, will not be much affected, conclusions should not be drawn from the complexity of classical simulations of the electronic structure of this system in this active space. We provide a different model active space for the FeMo cofactor that contains the basic open-shell qualitative character, which may be useful as a benchmark system for making classical and quantum resource estimates.",1809.10307v1 2018-10-03,Efficient ab initio auxiliary-field quantum Monte Carlo calculations in Gaussian bases via low-rank tensor decomposition,"We describe an algorithm to reduce the cost of auxiliary-field quantum Monte Carlo (AFQMC) calculations for the electronic structure problem. The technique uses a nested low-rank factorization of the electron repulsion integral (ERI). While the cost of conventional AFQMC calculations in Gaussian bases scales as $\mathcal{O}(N^4)$ where $N$ is the size of the basis, we show that ground-state energies can be computed through tensor decomposition with reduced memory requirements and sub-quartic scaling. The algorithm is applied to hydrogen chains and square grids, water clusters, and hexagonal BN. In all cases we observe significant memory savings and, for larger systems, reduced, sub-quartic simulation time.",1810.01549v2 2018-11-14,Enhancing nanoparticle diffusion on a unidirectional domain wall magnetic ratchet,"The performance of nanoscale magnetic devices is often limited by the presence of thermal fluctuations, while in micro-nanofluidic applications the same fluctuations may be used to spread reactants or drugs. Here we demonstrate the controlled motion and the enhancement of diffusion of magnetic nanoparticles that are manipulated and driven across a series of Bloch walls within an epitaxially grown ferrite garnet film. We use a rotating magnetic field to generate a traveling wave potential that unidirectionally transports the nanoparticles at a frequency tunable speed. Strikingly, we find an enhancement of diffusion along the propulsion direction and a frequency dependent diffusion coefficient that can be precisely controlled by varying the system parameters. To explain the reported phenomena, we develop a theoretical approach that shows a fair agreement with the experimental data enabling an exact analytical expression for the enhanced diffusivity above the magnetically modulated periodic landscape. Our technique to control thermal fluctuations of driven magnetic nanoparticles represents a versatile and powerful way to programmably transport magnetic colloidal matter in a fluid, opening the doors to different fluidic applications based on exploiting magnetic domain wall ratchets.",1811.05762v1 2019-01-17,Statistical Mechanics and the Ghosts of Departed Quantities,"Quantum mechanics appears to contain ghosts from both classical statistical mechanics and special relativity. On one hand, both the Dirac and Schr\""{o}dinger equations have classical analogs that emerge directly from classical statistical mechanics, unimpeded by major problems of interpretation. On the other hand, the formal analytic continuation that takes these classical equations to the quantum version introduces a velocity dependent phase. However, among classical theories, only in relativistic mechanics does one find path-dependent phase in the form of relativistic time dilation. This paper explores the idea that if we start with statistical mechanics and special relativity we can discover a version of the quantum algorithm and show that at least some of the resulting ghosts are direct descendants of those connected with the birth of the differential calculus.",1901.11066v1 2019-01-25,Monolithic integration of broadband optical isolators for polarization-diverse silicon photonics,"Integrated optical isolators have been a longstanding challenge for photonic integrated circuits (PIC). An ideal integrated optical isolator for PIC should be made by a monolithic process, have a small footprint, exhibit broadband and polarization-diverse operation, and be compatible with multiple materials platforms. Despite significant progress, the optical isolators reported so far do not meet all these requirements. In this article we present monolithically integrated broadband magneto-optical isolators on silicon and silicon nitride (SiN) platforms operating for both TE and TM modes with record high performances, fulfilling all the essential characteristics for PIC applications. In particular, we demonstrate fully-TE broadband isolators by depositing high quality magneto-optical garnet thin films on the sidewalls of Si and SiN waveguides, a critical result for applications in TE-polarized on-chip lasers and amplifiers. This work demonstrates monolithic integration of high performance optical isolators on chip for polarization-diverse silicon photonic systems, enabling new pathways to impart nonreciprocal photonic functionality to a variety of integrated photonic devices.",1902.01236v1 2019-03-09,Conversion of projected entangled pair states into a canonical form,"We propose an algorithm to convert a projected entangled pair state (PEPS) into a canonical form, analogous to the well-known canonical form of a matrix product state. Our approach is based on a variational gauging ansatz for the QR tensor decomposition of PEPS columns into a matrix product operator and a finite depth circuit of unitaries and isometries. We describe a practical initialization scheme that leads to rapid convergence in the QR optimization. We explore the performance and stability of the variational gauging algorithm in norm calculations for the transverse-field Ising and Heisenberg models on a square lattice. We also demonstrate energy optimization within the PEPS canonical form for the transverse-field Ising and Heisenberg models. We expect this canonical form to open up improved analytical and numerical approaches for PEPS.",1903.03843v4 2019-04-15,Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states,"We analyze the dynamical phases of the current-biased 1D and multi-lane open asymmetric simple exclusion processes (ASEP), using matrix product states and the density matrix renormalization group (DMRG) algorithm. In the 1D ASEP, we present a systematic numerical study of the current cumulant generating function and its derivatives, which serve as dynamical phase order parameters. We further characterize the microscopic structure of the phases from local observables and the entanglement spectrum. In the multi-lane ASEP, which may be viewed as finite width 2D strip, we use the same approach and find the longitudinal current-biased dynamical phase behavior to be sensitive to transverse boundary conditions. Our results serve to illustrate the potential of tensor networks in the simulation of classical nonequilibrium statistical models.",1904.07336v1 2019-05-01,Hamiltonian symmetries in auxiliary-field quantum Monte Carlo calculations for electronic structure,"We describe how to incorporate symmetries of the Hamiltonian into auxiliary-field quantum Monte Carlo calculations (AFQMC). Focusing on the case of Abelian symmetries, we show that the computational cost of most steps of an AFQMC calculation is reduced by $N_k^{-1}$, where $N_k$ is the number of irreducible representations of the symmetry group. We apply the formalism to a molecular system as well as to several crystalline solids. In the latter case, the lattice translational group provides increasing savings as the number of k points is increased, which is important in enabling calculations that approach the thermodynamic limit. The extension to non-Abelian symmetries is briefly discussed.",1905.00511v1 2019-05-28,Coupled-cluster impurity solvers for dynamical mean-field theory,"We describe the use of coupled-cluster theory as an impurity solver in dynamical mean-field theory (DMFT) and its cluster extensions. We present numerical results at the level of coupled-cluster theory with single and double excitations (CCSD) for the density of states and self-energies of cluster impurity problems in the one- and two-dimensional Hubbard models. Comparison to exact diagonalization shows that CCSD produces accurate density of states and self-energies at a variety of values of $U/t$ and filling fractions. However, the low cost allows for the use of many bath sites, which we define by a discretization of the hybridization directly on the real frequency axis. We observe convergence of dynamical quantities using approximately 30 bath sites per impurity site, with our largest 4-site cluster DMFT calculation using 120 bath sites. We suggest coupled cluster impurity solvers will be attractive in ab initio formulations of dynamical mean-field theory.",1905.12050v2 2019-08-14,A Tuneable Magnetic Domain Wall Conduit Regulating Nanoparticle Diffusion,"We demonstrate a general and robust method to confine on a plane strongly diffusing submicrometer particles in water by using size tunable magnetic channels. These virtual conduits are realized with pairs of movable Bloch walls (BWs) located within an epitaxially grown ferrite garnet film. We show that, once inside the magnetic conduit, the particles experience an effective local parabolic potential in the transverse direction, while freely diffusing along the conduit. The stiffness of the magnetic potential is determined as a function of field amplitude which varies the width of the magnetic channel, and precise control of the degree of confinement is demonstrated by tuning the applied field. The magnetic conduit is then used to realize single files of non-passing particles and to induce periodic condensation of an ensemble of particles into parallel stripes in a completely controllable and reversible manner.",1908.05039v1 2019-09-18,Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory,"We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell of atoms and for realistic quantum chemical basis sets. We avoid double counting errors by using Hartree-Fock as the low-level theory. Intrinsic and projected atomic orbitals (IAO+PAO) are chosen as the local embedding basis, facilitating numerical bath truncation. Using an efficient integral transformation and coupled-cluster Green's function (CCGF) impurity solvers, we are able to handle embedded impurity problems with several hundred orbitals. We apply our ab initio DMFT approach to study a hexagonal boron nitride monolayer, crystalline silicon, and nickel oxide in the antiferromagnetic phase, with up to 104 and 78 impurity orbitals in spin-restricted and unrestricted cluster DMFT calculations and over 100 bath orbitals. We show that our scheme produces accurate spectral functions compared to both benchmark periodic coupled-cluster computations and experimental spectra.",1909.08592v2 2019-09-18,Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory,"We describe an efficient quantum embedding framework for realistic ab initio density matrix embedding (DMET) calculations in solids. We discuss in detail the choice of orbitals and mapping to a lattice, treatment of the virtual space and bath truncation, and the lattice-to embedded integral transformation. We apply DMET in this ab initio framework to a hexagonal boron nitride monolayer, crystalline silicon, and nickel monoxide in the antiferromagnetic phase, using large embedded clusters with up to 300 embedding orbitals. We demonstrate our formulation of ab initio DMET in the computation of ground-state properties such as the total energy, equation of state, magnetic moment and correlation functions.",1909.08596v2 2019-09-24,First principles coupled cluster theory of the electronic spectrum of the transition metal dichalcogenides,"The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired with a careful thermodynamic limit extrapolation in two dimensions can be used to obtain converged bandgaps for monolayer materials in the MoS2 family. We find general agreement between CCSD and previously reported GW simulations in terms of the band structure, but predict slightly higher band gap values and effective hole masses compared to previous reports. We also investigate the ability of CCSD to describe trion states, finding reasonable qualitative structure, but poor excitation energies due to the lack of screening of three-particle excitations in the effective Hamiltonian. Our study provides an independent high-level benchmark of the role of many-body effects in 2D TMDs and showcases the potential strengths and weaknesses of diagrammatic coupled cluster approaches for realistic materials.",1909.10886v1 2019-09-25,Constructing Auxiliary Dynamics for Nonequilibrium Stationary States by Variance Minimization,"We present a strategy to construct guiding distribution functions (GDFs) based on variance minimization. Auxiliary dynamics via GDFs mitigates the exponential growth of variance as a function of bias in Monte Carlo estimators of large deviation functions. The variance minimization technique exploits the exact properties of eigenstates of the tilted operator that defines the biased dynamics in the nonequilibrium system. We demonstrate our techniques in two classes of problems. In the continuum, we show that GDFs can be optimized to study interacting driven diffusive systems where the efficiency is systematically improved by incorporating higher correlations into the GDF. On the lattice, we use a correlator product state ansatz to study the 1D WASEP. We show that with modest resources we can capture the features of the susceptibility in large systems that marks the phase transition from uniform transport to a traveling wave state. Our work extends the repertoire of tools available to study nonequilibrium properties in realistic systems.",1909.11283v3 2019-10-22,Exact Parameterization of Fermionic Wave Functions via Unitary Coupled Cluster Theory,"A formal analysis is conducted on the exactness of various forms of unitary coupled cluster (UCC) theory based on particle-hole excitation and de-excitation operators. Both the conventional single exponential UCC parameterization and a disentangled (factorized) version are considered. We formulate a differential cluster analysis to determine the UCC amplitudes corresponding to a general quantum state. The exactness of conventional UCC (ability to represent any state) is explored numerically and it is formally shown to be determined by the structure of the critical points of the UCC exponential mapping. A family of disentangled UCC wave functions are shown to exactly parameterize any state, thus showing how to construct Trotter-error-free parameterizations of UCC for applications in quantum computing. From these results, we derive an exact disentangled UCC parameterization that employs an infinite sequence of particle-hole or general one- and two-body substitution operators.",1910.10130v1 2019-11-18,Finite temperature density matrix embedding theory,"We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order in the Hamiltonian, or the Hamiltonian up to a given order in the density matrix. We assess the performance of the finite-temperature density matrix embedding on the 1D Hubbard model both at half-filling and away from it, and the 2D Hubbard model at half-filling, comparing to exact data where available, as well as results from finite-temperature density matrix renormalization group, dynamical mean-field theory, and dynamical cluster approximations. The accuracy of finite-temperature density matrix embedding appears comparable to that of the ground-state theory, with at most a modest increase in bath size, and competitive with that of cluster dynamical mean-field theory.",1911.07439v1 2019-12-27,Ferromagnetic state above room temperature in a proximitized topological Dirac semimetal,"We report an above-room-temperature ferromagnetic state realized in a proximitized Dirac semimetal, which is fabricated by growing typical Dirac semimetal Cd$_3$As$_2$ films on a ferromagnetic garnet with strong perpendicular magnetization. Observed anomalous Hall conductivity with substantially large Hall angles is found to be almost proportional to magnetization and opposite in sign to it. Theoretical calculations based on first-principles electronic structure also demonstrate that the Fermi-level dependent anomalous Hall conductivity reflects the Berry curvature originating in the split Weyl nodes. The present Dirac-semimetal/ferromagnetic-insulator heterostructure will provide a novel platform for exploring Weyl-node transport phenomena and spintronic functions lately proposed for topological semimetals.",1912.11964v1 2020-01-01,Exploring the magnetic properties of the largest single molecule magnets,"The giant $\{ \mathrm{Mn}_{70} \}$ and $\{ \mathrm{Mn}_{84} \}$ wheels are the largest nuclearity single-molecule magnets synthesized to date and understanding their magnetic properties poses a challenge to theory. Starting from first principles calculations, we explore the magnetic properties and excitations in these wheels using effective spin Hamiltonians. We find that the unusual geometry of the superexchange pathways leads to weakly coupled $\{ \mathrm{Mn}_{7} \}$ subunits carrying an effective $S=2$ spin. The spectrum exhibits a hierarchy of energy scales and massive degeneracies, with the lowest energy excitations arising from Heisenberg-ring-like excitations of the $\{ \mathrm{Mn}_{7} \}$ subunits around the wheel, at energies consistent with the observed temperature dependence of the magnetic susceptibility. We further suggest an important role for weak longer-range couplings in selecting the precise spin ground-state of the $\mathrm{Mn}$ wheels out of the nearly degenerate ground-state band.",2001.00247v2 2020-01-14,Invariable generation and wreath products,"Invariable generation is a topic that has predominantly been studied for finite groups. In 2014, Kantor, Lubotzky, and Shalev produced extensive tools for investigating invariable generation for infinite groups. Since their paper, various authors have investigated the property for particular infinite groups or families of infinite groups. A group is invariably generated by a subset $S$ if replacing each element of $S$ with any of its conjugates still results in a generating set for $G$. In this paper we investigate how this property behaves with respect to wreath products. Our main work is to deal with the case where the base of $G\wr_X H$ is not invariably generated. We see both positive and negative results here depending on $H$ and its action on $X$.",2001.04748v3 2020-04-03,Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems,"We discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the method including the truncation of the orbital space and integration of the amplitude equations are tested on some simple systems, and we provide some guidelines for applying the method in practice. The method is then applied to the 1D Hubbard model, the uniform electron gas at warm, dense conditions, and some simple materials. The performance on model systems at high temperatures is encouraging: for the 1-dimensional Hubbard model FT-CCSD provides a qualitatively accurate description of finite-temperature correlation effects even at $U = 8$, and it allows for the computation of systematically improvable exchange-correlation energies of the warm, dense UEG over a wide range of conditions. We highlight the obstacles that remain in using the method for realistic {\it ab initio} calculations on materials.",2004.01729v1 2020-04-18,Novel algorithms and high-performance cloud computing enable efficient fully quantum mechanical protein-ligand scoring,"Ranking the binding of small molecules to protein receptors through physics-based computation remains challenging. Though inroads have been made using free energy methods, these fail when the underlying classical mechanical force fields are insufficient. In principle, a more accurate approach is provided by quantum mechanical density functional theory (DFT) scoring, but even with approximations, this has yet to become practical on drug discovery-relevant timescales and resources. Here, we describe how to overcome this barrier using algorithms for DFT calculations that scale on widely available cloud architectures, enabling full density functional theory, without approximations, to be applied to protein-ligand complexes with approximately 2500 atoms in tens of minutes. Applying this to a realistic example of 22 ligands binding to MCL1 reveals that density functional scoring outperforms classical free energy perturbation theory for this system. This raises the possibility of broadly applying fully quantum mechanical scoring to real-world drug discovery pipelines.",2004.08725v1 2020-05-07,Minimal matrix product states and generalizations of mean-field and geminal wavefunctions,"Simple wavefunctions of low computational cost but which can achieve qualitative accuracy across the whole potential energy surface (PES) are of relevance to many areas of electronic structure as well as to applications to dynamics. Here, we explore a class of simple wavefunctions, the minimal matrix product state (MMPS), that generalizes many simple wavefunctions in common use, such as projected mean-field wavefunctions, geminal wavefunctions, and generalized valence bond states. By examining the performance of MMPSs for PESs of some prototypical systems, we find that they yield good qualitative behavior across the whole PES, often significantly improving on the aforementioned ans\""atze.",2005.03703v2 2020-05-18,Optical properties of YAG:Ce and GGG:Ce scintillation crystals irradiated with a high fluence proton beam,"In this paper, we report on the study of the optical properties of YAG:Ce and GGG:Ce garnet crystals after irradiation in a 660~MeV proton beam with a fluence up to 8.9$\times$10$^{14}$ protons/cm$^2$. We found that the transparency of both crystals fell by no more than 7\% in the region of their own luminescence. The light yield of a YAG:Ce sample, measured one year after irradiation, dropped by about 35\%.",2005.09087v1 2020-07-03,Invariable generation and the Houghton groups,"The Houghton groups $H_1, H_2, \ldots$ are a family of infinite groups. In 1975 Wiegold showed that $H_3$ was invariably generated (IG) but $H_1\le H_3$ was not. A natural question is then whether the groups $H_2, H_3, \ldots$ are all IG. Wiegold also ends by saying that, in the examples he had found of an IG group with a subgroup that is not IG, the subgroup was never of finite index. Another natural question is then whether there is a subgroup of finite index in $H_3$ that is not IG. In this note we prove, for each $n\in \{2, 3, \ldots\}$, that $H_n$ and all of its finite index subgroups are IG. The independent work of Minasyan and Goffer-Lazarovich in June 2020 frames this note quite nicely: they showed that an IG group can have a finite index subgroup that is not IG.",2007.01626v1 2020-08-24,Numerical continuum tensor networks in two dimensions,"We describe the use of tensor networks to numerically determine wave functions of interacting two-dimensional fermionic models in the continuum limit. We use two different tensor network states: one based on the numerical continuum limit of fermionic projected entangled pair states obtained via a tensor network formulation of multi-grid, and another based on the combination of the fermionic projected entangled pair state with layers of isometric coarse-graining transformations. We first benchmark our approach on the two-dimensional free Fermi gas then proceed to study the two-dimensional interacting Fermi gas with an attractive interaction in the unitary limit, using tensor networks on grids with up to 1000 sites.",2008.10566v1 2020-08-25,Short-range Thermal Magnon Diffusion in Magnetic Garnet,"Using the spin Seebeck effect (SSE), we study the propagation distance of thermal spin currents inside a magnetic insulator thin film in the short-range regime. We disambiguate spin currents driven by temperature and chemical potential gradients by comparing the SSE signal before and after adding a thermalization capping layer on the same device. We report that the measured spin decay behavior near the heat source is well accounted for by a diffusion model where the magnon diffusion length is in submicron range, \textit{i.e.} two orders of magnitude smaller than previous estimates inferred from the long-range behavior. Our results highlight the caveat in applying a diffusive theory to describe thermal magnon transport, where a single decay length may not capture the behavior on all length scales.",2008.10942v1 2020-09-08,Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution,"Developing scalable quantum algorithms to study finite-temperature physics of quantum many-body systems has attracted considerable interest due to recent advancements in quantum hardware. However, such algorithms in their present form require resources that exceed the capabilities of current quantum computers except for a limited range of system sizes and observables. Here, we report calculations of finite-temperature properties including energies, static and dynamical correlation functions, and excitation spectra of spin Hamiltonians with up to four sites on five-qubit IBM Quantum devices. These calculations are performed using the quantum imaginary time evolution (QITE) algorithm and made possible by several algorithmic improvements, including a method to exploit symmetries that reduces the quantum resources required by QITE, circuit optimization procedures to reduce circuit depth, and error mitigation techniques to improve the quality of raw hardware data. Our work demonstrates that the ansatz-independent QITE algorithm is capable of computing diverse finite-temperature observables on near-term quantum devices.",2009.03542v1 2020-09-28,A coupled cluster framework for electrons and phonons,"We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess the strengths and weaknesses of different coupled cluster approximations which generally perform well for weak to moderate coupling. Finally, we report progress towards an implementation for {\it ab initio} calculations on solids, and present some preliminary results on finite-size models of diamond. We also report the implementation of electron-phonon coupling matrix elements from crystalline Gaussian type orbitals (cGTO) within the PySCF program package.",2009.13568v2 2020-10-26,Ultrafast phononic switching of magnetization,"Identifying an efficient pathway to change the order parameter via a subtle excitation of the coupled high-frequency mode is the ultimate goal of the field of ultrafast phase transitions. This is an especially interesting research direction in magnetism, where the coupling between spin and lattice excitations is required for magnetization reversal. Despite several attempts however, the switching between magnetic states via resonant pumping of phonon modes has not yet been demonstrated. Here we show how an ultrafast resonant excitation of the longitudinal optical phonon modes in magnetic garnet films switches magnetization into a peculiar quadrupolar magnetic domain pattern, unambiguously revealing the magneto-elastic mechanism of the switching. In contrast, the excitation of strongly absorbing transverse phonon modes results in thermal demagnetization effect only.",2010.13671v1 2021-01-14,Constructing Tensor Network Influence Functionals for General Quantum Dynamics,"We describe an iterative formalism to compute influence functionals that describe the general quantum dynamics of a subsystem beyond the assumption of linear coupling to a quadratic bath. We use a space-time tensor network representation of the influence functional and investigate its approximability in terms of the bond dimensions and time-like entanglement in the tensor network description. We study two numerical models, the spin-boson model and a model of interacting hard-core bosons in a 1D harmonic trap. We find that the influence functional and the intermediates involved in its construction can be efficiently approximated by low bond dimension tensor networks in certain dynamical regimes, which allows the quantum dynamics to be accurately computed for longer times than with direct time evolution methods. However, as one iteratively integrates out the bath, the correlations in the influence functional can first increase before decreasing, indicating that the final compressibility of the influence functional is achieved via non-trivial cancellation.",2101.05466v3 2021-01-28,On the finite index subgroups of Houghton's groups,"An erratum has been added to resolve an issue raised by Professor Derek Holt. This appears after the original paper, and also includes two new results. Original abstract: Houghton's groups $H_2, H_3, \ldots$ are certain infinite permutation groups acting on a countably infinite set; they have been studied, among other things, for their finiteness properties. In this note we describe all of the finite index subgroups of each Houghton group, and their isomorphism types. Using the standard notation that $d(G)$ denotes the minimal size of a generating set for $G$ we then show, for each $n\in \{2, 3,\ldots\}$ and $U$ of finite index in $H_n$, that $d(U)\in\{d(H_n), d(H_n)+1\}$ and characterise when each of these cases occurs.",2101.12116v5 2021-02-07,Characterization and identification of Au pathfinder minerals from an artisanal mine site using X-ray diffraction,"Gold-associated pathfinder minerals have been investigated by identifying host minerals of Au for samples collected from an artisanal mining site near a potential gold mine (Kubi Gold Project) in Dunkwa-On-Offin in the central region of Ghana. We find that for each composition of Au powder (impure) and the residual black hematite/magnetite sand that remains after gold panning, there is a unique set of associated diverse indicator minerals. These indicator minerals are identified as SiO2 (quartz), Fe3O4 (magnetite), and Fe2O3 (hematite), while contributions from pyrite, arsenopyrites, iridosmine, scheelite, tetradymite, garnet, gypsum, and other sulfate materials are insignificant. This constitutes a confirmative identification of Au pathfinding minerals in this particular mineralogical area. The findings suggest that X-ray diffraction could also be applied in other mineralogical sites to aid in identifying indicator minerals of Au and the location of ore bodies at reduced environmental and exploration costs.",2102.03744v1 2021-02-25,Externally corrected CCSD with renormalized perturbative triples (R-ecCCSD(T)) and density matrix renormalization group and selected configuration interaction external sources,"We investigate the renormalized perturbative triples correction together with the externally corrected coupled-cluster singles and doubles (ecCCSD) method. We take the density matrix renormalization group (DMRG) and heatbath CI (HCI) as external sources for the ecCCSD equations. The accuracy is assessed for the potential energy surfaces of H2O, N2, and F2. We find that the triples correction significantly improves on ecCCSD and we do not see any instability of the renormalized triples with respect to dissociation. We explore how to balance the cost of computing the external source amplitudes with respect to the accuracy of the subsequent CC calculation. In this context, we find that very approximate wavefunctions (and their large amplitudes) serve as an efficient and accurate external source. Finally, we characterize the domain of correlation treatable using the externally corrected method and renormalized triples combination studied in this work via a well-known wavefunction diagnostic.",2102.12703v1 2021-03-18,Low communication high performance ab initio density matrix renormalization group algorithms,"There has been recent interest in the deployment of ab initio density matrix renormalization group computations on high performance computing platforms. Here, we introduce a reformulation of the conventional distributed memory ab initio DMRG algorithm that connects it to the conceptually simpler and advantageous sum of sub-Hamiltonians approach. Starting from this framework, we further explore a hierarchy of parallelism strategies, that includes (i) parallelism over the sum of sub-Hamiltonians, (ii) parallelism over sites, (iii) parallelism over normal and complementary operators, (iv) parallelism over symmetry sectors, and (v) parallelism over dense matrix multiplications. We describe how to reduce processor load imbalance and the communication cost of the algorithm to achieve higher efficiencies. We illustrate the performance of our new open-source implementation on a recent benchmark ground-state calculation of benzene in an orbital space of 108 orbitals and 30 electrons, with a bond dimension of up to 6000, and a model of the FeMo cofactor with 76 orbitals and 113 electrons. The observed parallel scaling from 448 to 2800 CPU cores is nearly ideal.",2103.09976v3 2021-04-02,Surface plasmon-enhanced photo-magnetic excitation of spin dynamics in Au/YIG:Co magneto-plasmonic crystals,"We report strong amplification of photo-magnetic spin precession in Co-doped YIG employing a surface plasmon excitation in a metal-dielectric magneto-plasmonic crystal. Plasmonic enhancement is accompanied by the localization of the excitation within the 300~nm-thick layer inside the transparent dielectric garnet. Experimental results are nicely reproduced by numerical simulations of the photo-magnetic excitation. Our findings demonstrate the magneto-plasmonic concept of subwavelength localization and amplification of the photo-magnetic excitation in dielectric YIG:Co and open up a path to all-optical magnetization switching below diffraction limit with energy efficiency approaching the fundamental limit for magnetic memories.",2104.01250v1 2021-04-14,Spin waves propagating through a stripe magnetic domain structure and their applications to reservoir computing,"Spin waves propagating through a stripe domain structure and reservoir computing with their spin dynamics have been numerically studied with focusing on the relation between physical phenomena and computing capabilities. Our system utilizes a spin-wave-based device that has a continuous magnetic garnet film and 1-input/72-output electrodes on the top. To control spatially-distributed spin dynamics, a stripe magnetic domain structure and amplitude-modulated triangular input waves were used. The spatially-arranged electrodes detected spin vector outputs with various nonlinear characteristics that were leveraged for reservoir computing. By moderately suppressing nonlinear phenomena, our system achieves 100$\%$ prediction accuracy in temporal exclusive-OR (XOR) problems with a delay step up to 5. At the same time, it shows perfect inference in delay tasks with a delay step more than 7 and its memory capacity has a maximum value of 21. This study demonstrated that our spin-wave-based reservoir computing has a high potential for edge-computing applications and also can offer a rich opportunity for further understanding of the underlying nonlinear physics.",2104.06794v1 2021-04-28,The Fermionic Quantum Emulator,"The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical, materials, and condensed-matter systems. The library is fully integrated with the OpenFermion software package and serves as the simulation backend. The FQE reduces memory footprint by exploiting number and spin symmetry along with custom evolution routines for sparse and dense Hamiltonians, allowing us to study significantly larger quantum circuits at modest computational cost when compared against qubit state vector simulators. This release paper outlines the technical details of the simulation methods and key advantages.",2104.13944v2 2021-06-04,Conservation laws in coupled cluster dynamics at finite-temperature,"We extend the finite-temperature Keldysh non-equilibrium coupled cluster theory (Keldysh-CC) [{\it J. Chem. Theory Comput.} \textbf{2019}, 15, 6137-6253] to include a time-dependent orbital basis. When chosen to minimize the action, such a basis restores local and global conservation laws (Ehrenfest's theorem) for all one-particle properties, while remaining energy conserving for time-independent Hamiltonians. We present the time-dependent orbital-optimized coupled cluster doubles method (Keldysh-OCCD) in analogy with the formalism for zero-temperature dynamics, extended to finite temperatures through the time-dependent action on the Keldysh contour. To demonstrate the conservation property and understand the numerical performance of the method, we apply it to several problems of non-equilibrium finite-temperature dynamics: a 1D Hubbard model with a time-dependent Peierls phase, laser driving of molecular H$_2$, driven dynamics in warm-dense silicon, and transport in the single impurity Anderson model.",2106.02691v1 2021-06-08,Implications of PREX--2 data on the electron--neutrino opacity in dense matter,"Motivated by the recent measurement of the neutron distribution radius of ${}^{208}$Pb from the PREX--2 data, I study the effects of the new G3(M) parameter set constrained by PREX--2 data on the electron--neutrino scattering in dense matter using the extended relativistic mean field (E--RMF) model. I employ the G3(M) parameter set to describe the nuclear matter. The obtained equation of state for the G3(M) parameter set has an excellent agreement with experimental data and the chiral effective field theory calculation with N$^3$LO 3N forces. I analyze both differential cross section of electron--neutrino and electron--neutrino mean free path to observe their sensitivity to the G3(M) parameter set. One finds that the differential cross sections of electron--neutrino for different baryon densities have higher values compared with that obtained for the TM1e and FSU Garnet parameter sets. The higher cross section decreases the electron--neutrino mean free path.",2106.04474v2 2021-07-03,The Variational Power of Quantum Circuit Tensor Networks,"We characterize the variational power of quantum circuit tensor networks in the representation of physical many-body ground-states. Such tensor networks are formed by replacing the dense block unitaries and isometries in standard tensor networks by local quantum circuits. We explore both quantum circuit matrix product states and the quantum circuit multi-scale entanglement renormalization ansatz, and introduce an adaptive method to optimize the resulting circuits to high fidelity with more than $10^4$ parameters. We benchmark their expressiveness against standard tensor networks, as well as other common circuit architectures, for the 1D/2D Heisenberg and 1D Fermi-Hubbard models. We find quantum circuit tensor networks to be substantially more expressive than other quantum circuits for these problems, and that they can even be more compact than standard tensor networks. Extrapolating to circuit depths which can no longer be emulated classically, this suggests a region of advantage in quantum expressiveness in the representation of physical ground-states.",2107.01307v2 2021-09-22,Matrix product states with large sites,"We explore various ways to group orbitals into clusters in a matrix product state (MPS). We explain how a generic cluster MPS can often lead to an increase in computational cost and instead propose a special cluster structure, involving only the first and last orbitals/sites, with a wider scope for computational advantage. This structure is a natural formalism to describe correlated multireference (MR) theories. We demonstrate the flexibility and usefulness of this approach by implementing various uncontracted MR configuration interaction, perturbation and linearized coupled cluster theories using an MPS with large cluster sites. Applications to the nitrogen dimer, the chromium dimer, and benzene, including up to triple excitations in the external space, demonstrate the utility of an MPS with up to two large sites. We use our results to analyze the quality of different multireference approximations.",2109.11036v2 2021-10-18,On the pure state $v$-representability of density matrix embedding theory,"Density matrix embedding theory (DMET) formally requires the matching of density matrix blocks obtained from high-level and low-level theories, but this is sometimes not achievable in practical calculations. In such a case, the global band gap of the low-level theory vanishes, and this can require additional numerical considerations. We find that both the violation of the exact matching condition and the vanishing low-level gap are related to the assumption that the high-level density matrix blocks are non-interacting pure-state $v$-representable (NI-PS-V), which assumes that the low-level density matrix is constructed following the Aufbau principle. In order to relax the NI-PS-V condition, we develop an augmented Lagrangian method to match the density matrix blocks without referring to the Aufbau principle. Numerical results for 2D Hubbard and hydrogen model systems indicate that in some challenging scenarios, the relaxation of the Aufbau principle directly leads to exact matching of the density matrix blocks, which also yields improved accuracy.",2110.09558v2 2021-11-23,Quantum harmonic free energies for biomolecules and nanomaterials,"Obtaining the free energy of large molecules from quantum mechanical energy functions is a longstanding challenge. We describe a method that allows us to estimate, at the quantum mechanical level, the harmonic contributions to the thermodynamics of molecular systems of large size, with modest cost. Using this approach, we compute the vibrational thermodynamics of a series of diamond nanocrystals, and show that the error per atom decreases with system size in the limit of large systems. We further show that we can obtain the vibrational contributions to the binding free energies of prototypical protein-ligand complexes where the exact computation is too expensive to be practical. Our work raises the possibility of routine quantum mechanical estimates of thermodynamic quantities in complex systems.",2111.12200v2 2021-12-17,Systematic electronic structure in the cuprate parent state from quantum many-body simulations,"The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective low-energy models, and apply it to gain a detailed microscopic understanding across a family of cuprate superconducting materials in their parent undoped states. We uncover microscopic trends in the electron correlations and reveal the link between the material composition and magnetic energy scales via a many-body picture of excitation processes involving the buffer layers. Our work illustrates a path towards a quantitative and reliable understanding of more complex states of correlated materials at the ab initio many-body level.",2112.09735v3 2021-12-20,Realizing symmetry-protected topological phases in a spin-1/2 chain with next-nearest neighbor hopping on superconducting qubits,"The realization of novel phases of matter on quantum simulators is a topic of intense interest. Digital quantum computers offer a route to prepare topological phases with interactions that do not naturally arise in analog quantum simulators. Here, we report the realization of symmetry-protected topological (SPT) phases of a spin-{1/2} Hamiltonian with next-nearest-neighbor hopping on up to 11 qubits on a programmable superconducting quantum processor. We observe clear signatures of the two distinct SPT phases, such as excitations localized to specific edges and finite string order parameters. Our work advances ongoing efforts to realize novel states of matter with exotic interactions on digital near-term quantum computers.",2112.10333v1 2021-12-20,Holographic simulation of correlated electrons on a trapped ion quantum processor,"We develop holographic quantum simulation techniques to prepare correlated electronic ground states in quantum matrix product state (qMPS) form, using far fewer qubits than the number of orbitals represented. Our approach starts with a holographic technique to prepare a compressed approximation to electronic mean-field ground-states, known as fermionic Gaussian matrix product states (GMPS), with a polynomial reduction in qubit- and (in select cases gate-) resources compared to existing techniques. Correlations are then introduced by augmenting the GMPS circuits in a variational technique which we denote GMPS+X. We demonstrate this approach on Quantinuum's System Model H1 trapped-ion quantum processor for 1$d$ models of correlated metal and Mott insulating states. Focusing on the $1d$ Fermi-Hubbard chain as a benchmark, we show that GMPS+X methods faithfully capture the physics of correlated electron states, including Mott insulators and correlated Luttinger liquid metals, using considerably fewer parameters than problem-agnostic variational circuits.",2112.10810v3 2022-01-10,Entanglement in the quantum phases of an unfrustrated Rydberg atom array,"We report on the ground state phase diagram of interacting Rydberg atoms in the unfrustrated square lattice array. Using new tensor network algorithms, we scale to large systems in two dimensions while including all long-range interactions, revealing the phases in the bulk and their analogs in accessible finite arrays. We find a greatly altered phase diagram from earlier numerical and experimental studies, and in particular, we uncover an emergent entangled quantum nematic phase that appears in the absence of frustration. Broadly our results yield a conceptual guide for future experiments, while our techniques provide a blueprint for converging numerical studies in other lattices.",2201.03189v1 2022-06-14,Hyper-optimized approximate contraction of tensor networks with arbitrary geometry,"Tensor network contraction is central to problems ranging from many-body physics to computer science. We describe how to approximate tensor network contraction through bond compression on arbitrary graphs. In particular, we introduce a hyper-optimization over the compression and contraction strategy itself to minimize error and cost. We demonstrate that our protocol outperforms both hand-crafted contraction strategies in the literature as well as recently proposed general contraction algorithms on a variety of synthetic and physical problems on regular lattices and random regular graphs. We further showcase the power of the approach by demonstrating approximate contraction of tensor networks for frustrated three-dimensional lattice partition functions, dimer counting on random regular graphs, and to access the hardness transition of random tensor network models, in graphs with many thousands of tensors.",2206.07044v2 2022-06-21,The chromium dimer: closing a chapter of quantum chemistry,"The complex electronic structure and unusual potential energy curve of the chromium dimer have fascinated scientists for decades, with agreement between theory and experiment so far elusive. Here, we present a new ab initio simulation of the potential energy curve and vibrational spectrum that significantly improves on all earlier estimates. Our data support a shift in earlier experimental assignments of a cluster of vibrational frequencies by one quantum number. The new vibrational assignment yields an experimentally derived potential energy curve in quantitative agreement with theory across all bond lengths and across all measured frequencies. By solving this long-standing problem, our results raise the possibility of quantitative quantum chemical modeling of transition metal clusters with spectroscopic accuracy.",2206.10738v2 2022-07-06,A comparison between the one- and two-step spin-orbit coupling approaches based on the ab initio Density Matrix Renormalization Group,"The efficient and reliable treatment of both spin-orbit coupling (SOC) and electron correlation is essential for understanding f-element chemistry. We analyze two approaches to the problem, the one-step approach where both effects are treated simultaneously, and the two-step state interaction approach. We report an implementation of the ab initio density matrix renormalization group (DMRG) with a one-step treatment of the SOC effect which can be compared to prior two-step treatments on an equal footing. Using a dysprosium octahedral complex and bridged dimer as benchmark systems, we identify characteristics of problems where the one-step approach is beneficial for obtaining the low-energy spectrum.",2207.02435v2 2022-09-07,Testing the Gallium Anomaly,"We study the online detection by gallium capture of mono-energetic neutrinos produced by a $^{51}$Cr radioactive source in a scintillation experiment. We find that cerium-doped gadolinium aluminum gallium garnet (GAGG) is a suitable scintillator which contains about 21% of gallium per weight and has a high mass density and light yield. Combined with a highly efficient light detection system this allows tagging of the subsequent germanium decay and thus a clean distinction of gallium capture and elastic neutrino electron scattering events. With 1.5 tons of scintillator and 10 source runs of 3.4MCi, each, we obtain about 760 gallium capture events with a purity of 85% and 680,000 neutrino electron scattering events, where the latter provide a precise normalization independent of any nuclear physics. This configuration would allow to test the gallium anomaly at more than $5\sigma$ in an independent way.",2209.02885v3 2022-08-16,"Arithmetic circuit tensor networks, multivariable function representation, and high-dimensional integration","Many computational problems can be formulated in terms of high-dimensional functions. Simple representations of such functions and resulting computations with them typically suffer from the ""curse of dimensionality"", an exponential cost dependence on dimension. Tensor networks provide a way to represent certain classes of high-dimensional functions with polynomial memory. This results in computations where the exponential cost is ameliorated or in some cases, removed, if the tensor network representation can be obtained. Here, we introduce a direct mapping from the arithmetic circuit of a function to arithmetic circuit tensor networks, avoiding the need to perform any optimization or functional fit. We demonstrate the power of the circuit construction in examples of multivariable integration on the unit hypercube in up to 50 dimensions, where the complexity of integration can be understood from the circuit structure. We find very favorable cost scaling compared to quasi-Monte-Carlo integration for these cases, and further give an example where efficient quasi-Monte-Carlo cannot be theoretically performed without knowledge of the underlying tensor network circuit structure.",2209.07410v1 2022-11-18,Real time evolution of Anderson impurity models via tensor network influence functionals,"In this work we present and analyze two tensor network-based influence functional approaches for simulating the real-time dynamics of quantum impurity models such as the Anderson model. Via comparison with recent numerically exact simulations, we show that such methods accurately capture the long-time non-equilibrium quench dynamics. The two parameters that must be controlled in these tensor network influence functional approaches are a time discretization (Trotter) error and a bond dimension (tensor network truncation) error. We show that the actual numerical uncertainties are controlled by an intricate interplay of these two approximations which we demonstrate in different regimes. Our work opens the door to using these tensor network influence functional methods as general impurity solvers.",2211.10430v2 2022-11-25,Asymmetric Faraday Effect in a Magnetophotonic Crystal,"It is widely known that the magneto-optical Faraday effect is linear in magnetization and therefore the Faraday angles for the states with opposite magnetizations are of opposite sign but equal in modulus. Here we experimentally study propagation of light through a one-dimensional all-garnet magnetophotonic crystal to demonstrate an asymmetric Faraday effect (AFE) for which Faraday angles for opposite magnetic states differ not only in sign but in the absolute value as well. AFE appears in the vicinity of the cavity resonance for an oblique incidence of light which plane of polarization is inclined to the incidence plane. Under proper incidence and polarization angles the magnitude of AFE could be very large reaching 30% of the absolute value of the Faraday effect. The effect originates from the difference in Q-factors for p- and s- polarized cavity modes that breaks the symmetry between the two opposite directions of polarization rotation. The discovered AFE is of prime importance for nanoscale magnonics and optomagnetism.",2211.14355v2 2022-12-18,Exact relationships between the GW approximation and equation-of-motion coupled-cluster theories through the quasi-boson formalism,"We describe the relationship between the GW approximation and various equation-of-motion (EOM) coupled-cluster (CC) theories. We demonstrate the exact equivalence of the G$_0$W$_0$ approximation and the propagator theory for an electron-boson problem in a particular excitation basis. From there, we establish equivalence within the quasi-boson picture to the IP+EA-EOM unitary coupled-cluster propagator. We analyze the incomplete description of screening provided by the standard similarity-transformed IP+EA-EOM-CC and the recently introduced G$_0$W$_0$ Tamm-Dancoff approximation. We further consider the approximate decoupling of IP and EA sectors in EOM-CC treatments and devise the analogous particle-hole decoupling approach for the G$_0$W$_0$ approximation. Finally, we numerically demonstrate the exact relationships and magnitude of the approximations in calculations of a set of molecular ionization potentials and electron affinities.",2212.08982v1 2023-02-20,Optimizing the magnon-phonon cooperativity in planar geometries,"Optimizing the cooperativity between two distinct particles is an important feature of quantum information processing. Of particular interest is the coupling between spin and phonon, which allows for integrated long range communication between gates operating at GHz frequency. Using local light scattering, we show that, in magnetic planar geometries, this attribute can be tuned by adjusting the orientation and strength of an external magnetic field. The coupling strength is enhanced by about a factor of 2 for the out-of-plane magnetized geometry where the Kittel mode is coupled to circularly polarized phonons, compared to the in-plane one where it couples to linearly polarized phonons. We also show that the overlap between magnon and phonon is maximized by matching the Kittel frequency with an acoustic resonance that satisfies the half-wave plate condition across the magnetic film thickness. Taking the frequency dependence of the damping into account, a maximum cooperativity of about 6 is reached in garnets for the normal configuration near 5.5 GHz.",2302.09936v2 2023-05-04,Quantum Enhanced Probes of Magnetic Circular Dichroism,"Magneto-optical microscopies, including optical measurements of magnetic circular dichroism, are increasingly ubiquitous tools for probing spin-orbit coupling, charge-carrier g-factors, and chiral excitations in matter, but the minimum detectable signal in classical magnetic circular dichroism measurements is fundamentally limited by the shot-noise limit of the optical readout field. Here, we use a two-mode squeezed light source to improve the minimum detectable signal in magnetic circular dichroism measurements by 3 dB compared with state-of-the-art classical measurements, even with relatively lossy samples like terbium gallium garnet. We also identify additional opportunities for improvement in quantum-enhanced magneto-optical microscopies, and we demonstrate the importance of these approaches for environmentally sensitive materials and for low temperature measurements where increased optical power can introduce unacceptable thermal perturbations.",2305.02904v1 2023-06-07,Simulating quantum circuit expectation values by Clifford perturbation theory,"The classical simulation of quantum circuits is of central importance for benchmarking near-term quantum devices. The fact that gates belonging to the Clifford group can be simulated efficiently on classical computers has motivated a range of methods that scale exponentially only in the number of non-Clifford gates. Here, we consider the expectation value problem for circuits composed of Clifford gates and non-Clifford Pauli rotations, and introduce a heuristic perturbative approach based on the truncation of the exponentially growing sum of Pauli terms in the Heisenberg picture. Numerical results are shown on a Quantum Approximate Optimization Algorithm (QAOA) benchmark for the E3LIN2 problem and we also demonstrate how this method can be used to quantify coherent and incoherent errors of local observables in Clifford circuits. Our results indicate that this systematically improvable perturbative method offers a viable alternative to exact methods for approximating expectation values of large near-Clifford circuits.",2306.04797v2 2023-06-09,"Fermionic reduced density low-rank matrix completion, noise filtering, and measurement reduction in quantum simulations","Fermionic reduced density matrices summarize the key observables in fermionic systems. In electronic systems, the two-particle reduced density matrix (2-RDM) is sufficient to determine the energy and most physical observables of interest. Here, we consider the possibility of using matrix completion to reconstruct the two-particle reduced density matrix to chemical accuracy from partial information. We consider the case of noiseless matrix completion, where the partial information corresponds to a subset of the 2-RDM elements, as well as noisy completion, where the partial information corresponds to both a subset of elements, as well as statistical noise in their values. Through experiments on a set of 24 molecular systems, we find that the 2-RDM can be efficiently reconstructed from a reduced amount of information. In the case of noisy completion, this results in multiple orders of magnitude reduction in the number of measurements needed to determine the 2-RDM to chemical accuracy. These techniques can be readily applied to both classical and quantum algorithms for quantum simulations.",2306.05640v1 2023-06-18,Study of Ge Doped Garnet Type Li$_7$La$_3$Zr$_2$O$_{12}$ as Solid Electrolyte for Li-ion Battery Application,"Li$_{7-4x}$Ge$_x$La$_3$Zr$_2$O$_{12}$ has been synthesized using the conventional solid-state reaction method by substituting Germanium (Ge) at the Li site, which increases the Li-ion vacancies and leads to an increase in conductivity with $x$ varying from 0.05-0.20. The formation of cubic phase is confirmed by using XRD analysis. The surface morphology and elemental distribution have been studied using SEM characterization which gives the average particle size of the sample. The densities of the samples were calculated. For the confirmation of functional groups present within the sample, IR spectroscopy has been studied. The modulus and ac conductivity studies have also been studied. A complex impedance study has been done in the frequency range 20Hz-20MHz. Increase in ionic conductivity by one order has been observed in the sample with $x=0.10$. The minimum value of 0.56 eV activation energy is associated with the highest conductivity value of 7.23 x 10$^{-6}$ S/cm at room temperature. Thus increment in ionic conductivity at room temperature makes this material a promising solid electrolyte for future sustainable energy storage devices.",2306.10483v1 2023-06-28,Ab initio quantum many-body description of superconducting trends in the cuprates,"Using a systematic ab initio quantum many-body approach that goes beyond low-energy models, we directly compute the superconducting pairing order of several doped cuprate materials and structures. We find that we can correctly capture two well-known trends: the pressure effect, where pairing order increases with intra-layer pressure, and the layer effect, where the pairing order varies with the number of copper-oxygen layers. From these calculations, we observe that the strength of superexchange and the covalency at optimal doping are the best descriptors of the maximal pairing order. Our microscopic analysis further identifies short-range copper spin fluctuations, together with multi-orbital charge fluctuations, as central to the pairing trends. Our work illustrates the possibility of a quantitative computational understanding of unconventional high-temperature superconducting materials.",2306.16561v2 2023-08-07,Adiabatic quantum imaginary time evolution,"We introduce an adiabatic state preparation protocol which implements quantum imaginary time evolution under the Hamiltonian of the system. Unlike the original quantum imaginary time evolution algorithm, adiabatic quantum imaginary time evolution does not require quantum state tomography during its runtime, and unlike standard adiabatic state preparation, the final Hamiltonian is not the system Hamiltonian. Instead, the algorithm obtains the adiabatic Hamiltonian by integrating a classical differential equation that ensures that one follows the imaginary time evolution state trajectory. We introduce some heuristics that allow this protocol to be implemented on quantum architectures with limited resources. We explore the performance of this algorithm via classical simulations in a one-dimensional spin model and highlight essential features that determine its cost, performance, and implementability for longer times. We find competitive performance when compared to the original quantum imaginary time evolution, and argue that the rapid convergence of this protocol and its low resource requirements make it attractive for near-term state preparation applications.",2308.03292v1 2023-08-09,Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance,"A recent quantum simulation of observables of the kicked Ising model on 127 qubits implemented circuits that exceed the capabilities of exact classical simulation. We show that several approximate classical methods, based on sparse Pauli dynamics and tensor network algorithms, can simulate these observables orders of magnitude faster than the quantum experiment, and can also be systematically converged beyond the experimental accuracy. Our most accurate technique combines a mixed Schr\""{o}dinger and Heisenberg tensor network representation with the Bethe free entropy relation of belief propagation to compute expectation values with an effective wavefunction-operator sandwich bond dimension >16,000,000, achieving an absolute accuracy, without extrapolation, in the observables of <0.01, which is converged for many practical purposes. We thereby identify inaccuracies in the experimental extrapolations and suggest how future experiments can be implemented to increase the classical hardness.",2308.05077v3 2023-08-13,Measurement of the non-linearity in the gamma-ray response of the GAGG:Ce inorganic scintillator,"A characteristic of every inorganic scintillator crystal is its light yield, i.e., the amount of emitted scintillation photons per unit of energy deposited in the crystal. Light yield is known to be usually non-linear with energy, which impacts the spectroscopic properties of the scintillator. Cerium-doped gadolinium-aluminium-gallium garnet (GAGG:Ce) is a recently developed scintillator with several interesting properties, which make it very promising for space-based gamma-ray detectors, such as in the HERMES nanosatellite mission. In this paper we report an accurate measurement of the GAGG:Ce non-linearity in the 20-662 keV gamma-ray energy interval, using a setup composed of three samples of GAGG:Ce crystals read out by Silicon Drift Detectors (SDDs).",2308.06759v1 2023-08-15,Enhancement in Li-ion Conductivity through Co-doping of Ge and Ta in Garnet Li$_7$La$_3$Zr$_2$O$_{12}$ Solid Electrolyte,"For being used as an electrolyte in All Solid State Batteries (ASSB), a solid electrolyte must possess ionic conductivity comparable to that of conventional liquid electrolytes. To achieve this conductivity range, the series Li$_{6.8-y}$Ge$_{0.05}$La$_3$Zr$_{2-y}$Ta$_y$O$_{12}$ ($y = 0, 0.15, 0.25, 0.35, 0.45$) has been synthesized using solid-state reaction method and studied using various characterization techniques. The highly conducting cubic phase is confirmed from XRD analysis. Structural information was collected using SEM and density measurements. The prepared ceramic sample containing 0.25 Ta, sintered at 1050$^\circ$C for 7.30 hrs shows the maximum ionic conductivity of 6.61 x 10$^{-4}$ S/cm at 25$^\circ$C. The air stability of the same ceramic has also been evaluated after exposure for 5 months. The minimum activation energy associated with the maximum conductivity of 0.25 Ta is 0.25 eV. The DC conductivity measurements were done to confirm the ionic nature of conductivity for all ceramic samples. The stable result of ionic conductivity makes the 0.25 Ta containing ceramic sample a promising candidate for solid electrolytes for ASSB applications.",2308.07716v1 2023-10-05,Block2: a comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond,"Block2 is an open source framework to implement and perform density matrix renormalization group and matrix product state algorithms. Out-of-the-box it supports the eigenstate, time-dependent, response, and finite-temperature algorithms. In addition, it carries special optimizations for ab initio electronic structure Hamiltonians and implements many quantum chemistry extensions to the density matrix renormalization group, such as dynamical correlation theories. The code is designed with an emphasis on flexibility, extensibility, and efficiency, and to support integration with external numerical packages. Here we explain the design principles and currently supported features and present numerical examples in a range of applications.",2310.03920v2 2023-11-23,Invariable generation of certain branch groups,"We investigate invariable generation among key examples of branch groups. In particular, we prove that all generating sets of the torsion Grigorchuk groups, of the branch Grigorchuk-Gupta-Sidki groups and of the torsion multi-EGS groups (which are natural generalisations of the Grigorchuk-Gupta-Sidki groups) are invariable generating sets. Furthermore, for the first Grigorchuk group and the torsion Grigorchuk-Gupta-Sidki groups, every finitely generated subgroup has a finite invariable generating set. We also show that a branch Grigorchuk-Gupta-Sidki group is almost $\frac32$-generated, that the diameter of its generating subgraph $\Delta(G)$ is 2 and its total domination number is 2. Some of our results apply to groups for which every maximal subgroup is normal. This class, known as $\mathcal{MN}$, includes all nilpotent groups.",2311.14022v1 2023-11-30,AB-G$_0$W$_0$: A practical G$_0$W$_0$ method without frequency integration based on an auxiliary boson expansion,"Common G$_0$W$_0$ implementations rely on numerical or analytical frequency integration to determine the G$_0$W$_0$ self-energy, which results in a variety of practical complications. Recently, we demonstrated an exact connection between the G$_0$W$_0$ approximation and equation-of-motion (EOM) quantum chemistry approaches [J. Chem. Phys., 158, 124123 (2023)]. Based on this connection, we propose a new method to determine G$_0$W$_0$ quasiparticle energies which completely avoids frequency integration and its associated problems. To achieve this, we make use of an auxiliary boson (AB) expansion. We name the new approach AB-G$_0$W$_0$ and demonstrate its practical applicability in a range of molecular problems.",2311.18304v1 2024-01-04,Effect of Ca doping on Li ion conductivity of Ge and Ta doped garnet LLZO,"The series Li6.55+xGe0.05La3-xCaxZr1.75Ta0.25O12 ( x= 0, 0.05, 0.10, 0.15, 0.20 ) was prepared by conventional solid state reaction method with the sintering temperature of 10500C for 7.30 hr by substituting Ca at the La site to increase the Li ion conductivity. The synergistic effects of Ca incorporation on Li6.55Ge0.05La3Zr1.75Ta0.25O12 were studied using various structural and electrochemical analyses. X-ray diffraction, scanning electron microscopy, and Impedance analysis were used to determine the crystal structure, morphology, and AC conductivity of the prepared ceramic samples, respectively. The highest conductivity of 9.95 x 10-4 S/cm was obtained for a 0.05 Ca ceramic sample with minimum activation energy of 0.23 eV. The DC polarization measurements confirmed the dominance of ionic conduction in 0.05 Ca ceramic. The results obtained make the 0.05 Ca ceramic sample a promising candidate as solid electrolytes for all solid state Li-ion batteries (ASSLIBs).",2401.02359v1 2024-01-23,"Tensor network influence functionals in the continuous-time limit: connections to quantum embedding, bath discretization, and higher-order time propagation","We describe two developments of tensor network influence functionals (in particular, influence functional matrix product states (IF-MPS)) for quantum impurity dynamics within the fermionic setting of the Anderson impurity model. The first provides the correct extension of the IF-MPS to continuous time by introducing a related mathematical object, the boundary influence functional MPS. The second connects the dynamics described by a compressed IF-MPS to that of a quantum embedding method with a time-dependent effective bath undergoing non-unitary dynamics. Using these concepts, we implement higher-order time propagators for the quench dynamics of the Anderson impurity model within the boundary IF-MPS formalism. The calculations illustrate the ability of the current formulation to efficiently remove the time-step error in standard discrete-time IF-MPS implementations as well as to interface with state-vector propagation techniques. They also show the advantages of IF-MPS dynamics, with its associated highly compact effective bath dynamics, over state-vector propagation with a static bath discretization.",2401.12460v1 2024-02-19,Image Super-resolution Inspired Electron Density Prediction,"Drawing inspiration from the domain of image super-resolution, we view the electron density as a 3D grayscale image and use a convolutional residual network to transform a crude and trivially generated guess of the molecular density into an accurate ground-state quantum mechanical density. We find that this model outperforms all prior density prediction approaches. Because the input is itself a real-space density, the predictions are equivariant to molecular symmetry transformations even though the model is not constructed to be. Due to its simplicity, the model is directly applicable to unseen molecular conformations and chemical elements. We show that fine-tuning on limited new data provides high accuracy even in challenging cases of exotic elements and charge states. Our work suggests new routes to learning real-space physical quantities drawing from the established ideas of image processing.",2402.12335v1 2024-02-27,Fast Lithium Ion Diffusion in Brownmillerite $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$,"Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high hopping attempt frequency are the keys to achieve fast ion diffusion in solids. Taking advantage of the oxygen-vacancy channel in $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$, we show that migration barriers of lithium ion are as small as 0.28~0.17eV depending on the lithium concentration rates. Our first-principles calculation also investigated hopping attempt frequency and concluded the room temperature ionic diffusivity and ion conductivity is high as ${10}^{-7}\sim{10}^{-6}~\mathrm{{cm}^{2}~s^{-1}}$ and ${10}^{-3}\sim{10}^{-2}~\mathrm{S\cdot{cm}^{-1}}$ respectively, which outperform most of perovskite-type, garnet-type and sulfide Li-ion solid-state electrolytes. This work proves $\mathrm{Li}_{x}\mathrm{{Sr}_{2}{Co}_{2}{O}_{5}}$ as a promising solid-state electrolyte.",2402.17557v2 2024-04-02,Understanding spin currents from magnon dispersion and polarization: Spin-Seebeck effect and neutron scattering study on Tb3Fe5O12,"Magnon spin currents in the ferrimagnetic garnet Tb3Fe5O12 with 4f electrons were examined through the spin-Seebeck effect and neutron scattering measurements. The compound shows a magnetic compensation, where the spin-Seebeck signal reverses above and below Tcomp = 249.5(4) K. Unpolarized neutron scattering unveils two major magnon branches with finite energy gaps, which are well-explained in the framework of spin-wave theory. Their temperature dependencies and the direction of the precession motion of magnetic moments, i.e. magnon polarization, defined using polarized neutrons, explain the reversal at Tcomp and decay of the spin-Seebeck signals at low temperatures. We illustrate an example that momentum- and energy-resolved microscopic information is a prerequisite to understanding the magnon spin current.",2404.01603v1 2024-04-04,Performant Automatic Differentiation of Local Coupled Cluster Theories: Response Properties and Ab Initio Molecular Dynamics,"In this work, we introduce a differentiable implementation of the local natural orbital coupled cluster (LNOCC) method within the automatic differentiation framework of the PySCFAD package. The implementation is comprehensively tuned for enhanced performance, which enables the calculation of first-order static response properties on medium-sized molecular systems using coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. We evaluate the accuracy of our method by benchmarking it against the canonical CCSD(T) reference for nuclear gradients, dipole moments, and geometry optimizations. In addition, we demonstrate the possibility of property calculations for chemically interesting systems through the computation of bond orders and M\""ossbauer spectroscopy parameters for a [NiFe]-hydrogenase active site model, along with the simulation of infrared (IR) spectra via ab initio LNO-CC molecular dynamics for a protonated water hexamer.",2404.03129v2 1998-03-17,The Soft X-ray Spectrum of Scattering--Dominated AGN,"This paper discusses the properties of scattering--dominated active galactic nuclei (AGN). We define these to be AGN for which the direct line-of-sight to the continuum source is obscured by Compton-thick material. The aim is to construct, for the first time, a model consistent with X-ray line luminosities, line ratios and various luminosity indicators. The ASCA spectra of six such sources show several X-ray lines that can be reliably measured, mostly due to highly ionized magnesium, silicon sulphur and iron. These enable us to investigate the physical conditions of the scattering material. The sources show evidence of He-like and H-like iron lines that are likely to be produced in hot (T approx 10^6 K) photoionized gas. By measuring the EW of the lines, and by constructing a diagnostic line-ratio diagram, we demonstrate that the silicon and magnesium lines are produced by the same gas emitting the highly ionized iron lines. The properties of this gas are rather different from the properties of warm absorbers in type I AGN. Neutral 6.4 keV iron lines are also detected, originating in a different component which can be either Compton-thin or Compton-thick. The best measured iron lines suggest an enhancement of n_{Fe}/n_H by a factor approx 2 compared to solar, in both the hot and cool Compton-thin components. We further show that in four of the sources, the Fe Kalpha(6.4keV)/Hbeta (lambda 4861Ang) line ratio is consistent with that predicted for typical narrow line region clouds, and the reddening corrected Hbeta is known, provided the column density is larger than approx 10^{22.5}/cm^2, alpha_{ox} is smaller than 1.3. For some sources, this is a viable alternative to the commonly assumed Compton thick medium as the origin of the 6.4 keV iron line.",9803205v1 2001-06-15,The effects of relativistic bulk motion of X-ray flares in the corona on the iron Kalpha line in Seyfert 1 galaxies,"We study the effects of the bulk motion of X-ray flares on the shape and equivalent width of the iron Kalpha line from an untruncated cold disk around a Kerr black hole using fully relativistic calculations. The flares are located above a cold accretion disk -- either on or off the rotation axis. For on- or off-axis flares, the upward/outward bulk motion causes a reduction of the iron Kalpha line width. To a distant observer with a low inclination angle (\theta_o \simlt 30deg.), larger upward/outward bulk velocities decrease the extension of the red wing, with little change in the location of the blue `edge'. In contrast, an observer at a large inclination angle (e.g. \theta_o=60deg.) sees both the red wing and the blue `edge' change with the bulk velocity. The equivalent width of the iron Kalpha line decreases rapidly with increasing bulk velocity of flares. However, the `narrower' line profiles observed in some objects (e.g. IC4329A and NGC4593) are difficult to produce using the out-flowing magnetic flare model with an appropriate equivalent width unless the X-ray emission is concentrated in an outer region with a radius of several tens of r_g=GM/c^2 or more. An important result is that the iron Kalpha line intensity is found to be constant even though the continuum flux varies significantly, which is true for out-flowing magnetic flares with different bulk velocities but similar intrinsic luminosities when located close to the central black hole. We find that fluctuations in the bulk velocities of out-flowing low-height flares located at the inner region (r\simlt 15r_g) can account for a constant iron Kalpha line and significant continuum variation as observered in MCG-6-30-15 and NGC5548. (Abridged)",0106290v2 2004-10-20,The impact of non-LTE effects and granulation inhomogeneities on the derived iron and oxygen abundances in metal-poor halo stars,"This paper presents the results of a detailed theoretical investigation of the impact of non-LTE effects and of granulation inhomogeneities on the derived iron and oxygen abundances in the metal-poor halo subgiant HD140283. Our analysis is based on both the `classical' one-dimensional (1D) stellar atmosphere models and on the new generation of three-dimensional (3D) hydrodynamical models. We find that the non-LTE effects on the iron abundance derived from Fe {\sc i} lines are very important, amounting to ${\sim}0.9$ dex and to ${\sim}0.6$ dex in the 3D and 1D cases, respectively. On the other hand, we find that non-LTE and 3D effects have to be taken into account for a reliable determination of the iron abundance from weak Fe {\sc ii} lines, because the significant overexcitation of their upper levels in the granular regions tend to produce emission features. As a result such Fe {\sc ii} lines are weaker than in LTE and the abundance correction amounts to ${\sim}0.4$ dex for the 3D case. We derive also the oxygen-to-iron abundance ratio in the metal-poor star HD140283 by using the O {\sc i} triplet at 7772--5 \AA and the forbidden [O {\sc i}] line at 6300 \AA. Interestingly, when both non-LTE and 3D effects are taken into account there still remains significant discrepancies in the iron abundances derived from Fe {\sc i} and Fe {\sc ii} lines, as well as in the oxygen abundances inferred from the O {\sc i} and [O {\sc i}] lines. We conclude that the metalicity of this type of metal-poor stars could be significantly larger than previously thought, which may have far-reaching implications in stellar astrophysics.",0410475v1 2005-03-29,The XMM-Newton view of Mrk3 and IXO30,"We present the analysis of the XMM-Newton EPIC pn spectrum of the Seyfert 2 galaxy, Mrk3. We confirm that the source is dominated by a pure Compton reflection component and an iron K$\alpha$ line, both produced as reflection from a Compton-thick torus, likely responsible also for the large column density which is pierced by the primary powerlaw only at high energies. A low inclination angle and an iron underabundance, suggested by the amount of reflection and the depth of the iron edge, are consistent with the iron K$\alpha$ line EW with respect to the Compton reflection component. Moreover, the iron line width, if interpreted in terms of Doppler broadening due to the Keplerian rotation of the torus, puts an estimate to the inner radius of the latter, $r=0.6^{+1.3}_{-0.3} \sin^2{i}$ pc. Finally, two different photoionised reflectors are needed to take into account a large number of soft X-ray emission lines from N, O, Ne, Mg, Si, Fe L and the FeXXV emission line. RGS spectra show that the soft X-ray spectrum is dominated by emission lines, while the underlying continuum is best fitted by an unabsorbed powerlaw with the same photon index of the primary continuum, produced as reflection by a photoionised material with a column density of a few $10^{22}$ cm$^{-2}$. We also present the first X-ray spectrum of ROSAT source IXO30, which shows a huge iron line and is well represented either by an absorbed powerlaw or bremsstrahlung emission. Its spectral properties point to a likely identification in terms of a weak Galactic Cataclysmic Variable, but the lack of any optical counterpart precludes excluding other possibilities, like an ULX at the distance of Mrk3.",0503623v1 2007-05-30,Numerical Study on Stellar Core Collapse and Neutrino Emission: Probe into the Spherically Symmetric Black Hole Progenitors with 3 - 30Msun Iron Cores,"The existence of various anomalous stars, such as the first stars in the universe or stars produced by stellar mergers, has been recently proposed. Some of these stars will result in black hole formation. In this study, we investigate iron core collapse and black hole formation systematically for the iron-core mass range of 3 - 30Msun, which has not been studied well so far. Models used here are mostly isentropic iron cores that may be produced in merged stars in the present universe but we also employ a model that is meant for a Population III star and is obtained by evolutionary calculation. We solve numerically the general relativistic hydrodynamics and neutrino transfer equations simultaneously, treating neutrino reactions in detail under spherical symmetry. As a result, we find that massive iron cores with ~10Msun unexpectedly produce a bounce owing to the thermal pressure of nucleons before black hole formation. The features of neutrino signals emitted from such massive iron cores differ in time evolution and spectrum from those of ordinary supernovae. Firstly, the neutronization burst is less remarkable or disappears completely for more massive models because the density is lower at the bounce. Secondly, the spectra of neutrinos, except the electron type, are softer owing to the electron-positron pair creation before the bounce. We also study the effects of the initial density profile, finding that the larger the initial density gradient is, the more steeply the neutronization burst declines. Further more, we suggest a way to probe into the black hole progenitors from the neutrino emission and estimate the event number for the currently operating neutrino detectors.",0705.4350v1 2011-05-24,Spin Waves and magnetic exchange interactions in insulating Rb$_{0.89}$Fe$_{1.58}$Se$_2$,"The discovery of alkaline iron selenide $A$Fe$_{1.6+x}$Se$_2$ ($A=$ K, Rb, Cs) superconductors has generated considerable excitement in the condensed matter physics community because superconductivity in these materials may have a different origin from the sign reversed s-wave electron pairing mechanism, a leading candidate proposed for all other Fe-based superconductors. Although $A$Fe$_{1.6+x}$Se$_2$ are isostructural with the metallic antiferromagnetic (AF) iron pnictides such as (Ba,Ca,Sr)Fe$_2$As$_2$, they are insulators near $x=0$ and form a $\sqrt{5}\times\sqrt{5}$ blocked AF structure (Fig. 1a) completely different from the iron pnictides. If magnetism is responsible for superconductivity of all iron-based materials, it is important to determine their common magnetic features. Here we use neutron scattering to map out spin waves in the AF insulating Rb$_{0.89}$Fe$_{1.58}$Se$_2$. We find that although Rb$_{0.89}$Fe$_{1.58}$Se$_2$ has a N$\rm \acute{e}$el temperature ($T_N=475$ K) much higher than that of the iron pnictides ($T_N\leq 220$ K), spin waves for both classes of materials have similar zone boundary energies. A comparison of the fitted effective exchange couplings using a local moment Heisenberg Hamiltonian in Rb$_{0.89}$Fe$_{1.58}$Se$_2$, (Ba,Ca,Sr)Fe$_2$As$_2$, and iron chalcogenide Fe$_{1.05}$Te reveals that their next nearest neighbor (NNN) exchange couplings are similar. Therefore, superconductivity in all Fe-based materials may have a common magnetic origin that is intimately associated with the NNN magnetic exchange interactions, even though they have metallic or insulating ground states, different AF orders and electronic band structures.",1105.4675v1 2012-10-08,Magnetic fluctuations and effective magnetic moments in γ-iron due to electronic structure peculiarities,"Applying the local density and dynamical mean field approximations to paramagnetic \gamma-iron we revisit the problem of theoretical description of magnetic properties in a wide temperature range. We show that contrary to \alpha-iron, the frequency dependence of the electronic self-energy has a quasiparticle form for both, t_{2g} and e_g states. In the temperature range T=1200-1500 K, where \gamma-iron exist in nature, this substance can be nevertheless characterized by temperature-dependent effective local moments, which yield relatively narrow peaks in the real part of the local magnetic susceptibility. At the same time, at low temperatures \gamma-iron (which is realized in precipitates) is better described in terms of itinerant picture. In particular, the nesting features of the Fermi surfaces yield maximum of the static magnetic susceptibility at the incommensurate wave vector q_{max} belonging the direction q_X-q_W (q_X=(2\pi/a)(1,0,0),q_W=(2\pi/a)(1,1/2,0), a is a lattice parameter) in agreement with the experimental data. This state is found however to compete closely with the states characterized by magnetic wave vectors along the directions q_X-q_L-q_K, where q_L=(2\pi/a)(1/2,1/2,1/2), q_K=(2\pi/a)(3/4,3/4,0). From the analysis of the uniform magnetic susceptibility we find that contrary to \alpha-iron, the Curie-Weiss law is not fulfilled in a broad temperature range, although the inverse susceptibility is nearly linear in the moderate-temperature region (1200-1500 K). The non-linearity of the inverse uniform magnetic susceptibility in a broader temperature range is due to the density of states peak located close to the Fermi level. The effective exchange integrals in the paramagnetic phase are estimated on the base of momentum dependent susceptibility.",1210.2188v2 2012-10-18,Electron Correlation and Spin Dynamics in Iron Pnictides and Chalcogenides,"Superconductivity in the iron pnictides and chalcogenides is closely connected to a bad-metal normal state and a nearby antiferromagnetic order. Therefore, considerable attention has been focused on the role of electron correlations and spin dynamics. In this article, we summarize some key experiments that quite directly imply strong electron correlations in these materials, and discuss aspects of the recent theoretical studies on these issues. In particular, we outline a $w$-expansion, which treats the correlation effects using the Mott transition as the reference point. For the parent systems, it gives rise to an effective J1-J2 model that is coupled to the itinerant electrons in the vicinity of the Fermi energy; this model yields an isoelectronically-tuned quantum critical point, and allows a study of the distribution of the spin spectral weight in the energy and momentum space in the paramagnetic phase. Within the same framework, we demonstrate the Mott insulating phase in the iron oxychalcogenides as well as the alkaline iron selenides; for the latter system, we also consider the role of an orbital-selective Mott phase. Finally, we discuss the singlet superconducting pairing driven by the short-range J1-J2 interactions. Our considerations highlight the iron pnictides and chalcogenides as exemplifying strongly-correlated electron systems at the boundary of electronic localization and itinerancy.",1210.5017v2 2014-02-06,"A single low-energy, iron-poor supernova as the source of metals in the star SMSS J 031300.36-670839.3","The element abundance ratios of four low-mass stars with extremely low metallicities indicate that the gas out of which the stars formed was enriched in each case by at most a few, and potentially only one low-energy, supernova. Such supernovae yield large quantities of light elements such as carbon but very little iron. The dominance of low-energy supernovae is surprising, because it has been expected that the first stars were extremely massive, and that they disintegrated in pair-instability explosions that would rapidly enrich galaxies in iron. What has remained unclear is the yield of iron from the first supernovae, because hitherto no star is unambiguously interpreted as encapsulating the yield of a single supernova. Here we report the optical spectrum of SMSS J031300.36- 670839.3, which shows no evidence of iron (with an upper limit of 10^-7.1 times solar abundance). Based on a comparison of its abundance pattern with those of models, we conclude that the star was seeded with material from a single supernova with an original mass of ~60 Mo (and that the supernova left behind a black hole). Taken together with the previously mentioned low-metallicity stars, we conclude that low-energy supernovae were common in the early Universe, and that such supernovae yield light element enrichment with insignificant iron. Reduced stellar feedback both chemically and mechanically from low-energy supernovae would have enabled first-generation stars to form over an extended period. We speculate that such stars may perhaps have had an important role in the epoch of cosmic reionization and the chemical evolution of early galaxies.",1402.1517v1 2015-04-09,A three-dimensional hydrodynamical line profile analysis of iron lines and barium isotopes in HD140283,"Heavy-elements, i.e. those beyond the iron peak, mostly form via two neutron capture processes: the s- and r-process. Metal-poor stars should contain fewer isotopes that form via the s-process, according to currently accepted theory. It has been shown in several investigations that theory and observation do not agree well, raising questions on the validity of either the methodology or the theory. We analyse the metal-poor star HD140283, for which we have a high quality spectrum. We test whether a 3D LTE stellar atmosphere and spectrum synthesis code permits a more reliable analysis of the iron abundance and barium isotope ratio than a 1D LTE analysis. Using 3D model atmospheres, we examine 91 iron lines of varying strength and formation depth. This provides us with the star's rotational speed. With this, we model the barium isotope ratio by exploiting the hyperfine structure of the singly ionised 4554 resonance line, and study the impact of the uncertainties in the stellar parameters. HD140283's vsini = 1.65 +/- 0.05 km/s. Barium isotopes under the 3D paradigm show a dominant r-process signature as 77 +/- 6 +/- 17% of barium isotopes form via the r-process, where errors represent the assigned random and systematic errors, respectively. We find that 3D LTE fits reproduce iron line profiles better than those in 1D, but do not provide a unique abundance (within the uncertainties). However, we demonstrate that the isotopic ratio is robust against this shortcoming. Our barium isotope result agrees well with currently accepted theory regarding the formation of the heavy-elements during the early Galaxy. The improved fit to the asymmetric iron line profiles suggests that the current state of 3D LTE modelling provides excellent simulations of fluid flows. However, the abundances they provide are not yet self-consistent. This may improve with NLTE considerations and higher resolution models.",1504.02353v1 2015-06-12,Identification of prototypical Brinkman-Rice Mott physics in a class of iron chalcogenides superconductors,"The 122$^{*}$ series of iron-chalcogenide superconductors, for example K$_x$Fe$_{2-y}$Se$_{2}$, only possesses electron Fermi pockets. Their distinctive electronic structure challenges the picture built upon iron pnictide superconductors, where both electron and hole Fermi pockets coexist. However, partly due to the intrinsic phase separation in this family of compounds, many aspects of their behavior remain elusive. In particular, the evolution of the 122$^{*}$ series of iron-chalcogenides with chemical substitution still lacks a microscopic and unified interpretation. Using angle-resolved photoemission spectroscopy, we studied a major fraction of 122$^{*}$ iron-chalcogenides, including the isovalently `doped' K$_x$Fe$_{2-y}$Se$_{2-z}$S$_z$, Rb$_x$Fe$_{2-y}$Se$_{2-z}$Te$_z$ and (Tl,K)$_x$Fe$_{2-y}$Se$_{2-z}$S$_z$. We found that the bandwidths of the low energy Fe \textit{3d} bands in these materials depend on doping; and more crucially, as the bandwidth decreases, the ground state evolves from a metal to a superconductor, and eventually to an insulator, yet the Fermi surface in the metallic phases is unaffected by the isovalent dopants. Moreover, the correlation-driven insulator found here with small band filling may be a novel insulating phase. Our study shows that almost all the known 122$^{*}$-series iron chalcogenides can be understood {\it via} one unifying phase diagram which implies that moderate correlation strength is beneficial for the superconductivity.",1506.04018v3 2015-11-30,Iron Fluorescent Line Emission from the mCvs and Hard X-ray Emitting Symbiotic Stars as a Source of the Iron Fluorescent Line Emission from the Galactic Ridge,"The Galactic Ridge X-ray Emission (GRXE) spectrum has strong iron emission lines at 6.4, 6.7, and 7.0~keV, each corresponding to the neutral (or low-ionized), He-like, and H-like iron ions. The 6.4~keV fluorescence line is due to irradiation of neutral (or low ionized) material (iron) by hard X-ray sources, indicating uniform presence of the cold matter in the Galactic plane. In order to resolve origin of the cold fluorescent matter, we examined the contribution of the 6.4~keV line emission from white dwarf surfaces in the hard X-ray emitting symbiotic stars (hSSs) and magnetic cataclysmic variables (mCVs) to the GRXE. In our spectral analysis of 4~hSSs and 19~mCVs observed with Suzaku, we were able to resolve the three iron emission lines. We found that the equivalent-widths (EWs) of the 6.4~keV lines of hSSs are systematically higher than those of mCVs, such that the average EWs of hSSs and mCVs are $179_{-11}^{+46}$~eV and $93_{-3}^{+20}$~eV, respectively. The EW of hSSs compares favorably with the typical EWs of the 6.4~keV line in the GRXE of 90--300~eV depending on Galactic positions. Average 6.4~keV line luminosities of the hSSs and mCVs are $9.2\times 10^{39}$ and $1.6\times 10^{39}$~photons~s$^{-1}$, respectively, indicating that hSSs are intrinsically more efficient 6.4~keV line emitters than mCVs. We compare expected contribution of the 6.4 keV lines from mCVs with the observed GRXE 6.4 keV line flux in the direction of $(l,b) \approx (28.5\arcdeg, 0\arcdeg$). We conclude that almost all the 6.4 keV line flux in GRXE may be explained by mCVs within current undertainties of the stellar number densities, while contribution from hSSs may not be negligible.",1511.09424v2 2016-06-16,Broadband X-ray emission and the reality of the broad iron line from the Neutron Star - White Dwarf X-ray binary 4U 1820-30,"Broad relativistic iron lines from neutron star X-ray binaries are important probes of the inner accretion disk. The X-ray reflection features can be weakened due to strong magnetic fields or very low iron abundances such as is possible in X-ray binaries with low mass, first generation stars as companions. Here we investigate the reality of the broad iron line detected earlier from the neutron star low mass X-ray binary 4U~1820--30 with a degenerate helium dwarf companion. We perform a comprehensive, systematic broadband spectral study of the atoll source using \suzaku{} and simultaneous \nustar{} \& \swift{} observations. We have used different continuum models involving accretion disk emission, thermal blackbody and thermal Comptonization of either disk or blackbody photons. The \suzaku{} data show positive and negative residuals in the region of iron K band. These features are well described by two absorption edges at $7.67\pm0.14\kev$ and $6.93\pm0.07\kev$ or partial covering photoionized absorption or by blurred reflection. Though, the simultaneous \swift{} and \nustar{} data do not clearly reveal the emission or absorption features, the data are consistent with the presence of either absorption or emission features. Thus, the absorption based models provide an alternative to the broad iron line or reflection model. The absorption features may arise in winds from the inner accretion disk. The broadband spectra appear to disfavour continuum models in which the blackbody emission from the neutron star surface provides the seed photons for thermal Comptonization. Our results suggest emission from a thin accretion disk ($kT_{disk} \sim 1\kev$), Comptonization of disk photons in a boundary layer most likely covering a large fraction of the neutron star surface and innermost parts of the accretion disk, and blackbody emission ($kT_{bb} \sim 2\kev$) from the polar regions.",1606.05307v1 2020-01-09,Near-ultraviolet Transmission Spectroscopy of HD 209458b: Evidence of Ionized Iron Beyond the Planetary Roche Lobe,"The inflated transiting hot Jupiter HD 209458b is one of the best studied objects since the beginning of exoplanet characterization. Transmission observations of this system between the mid infrared and the far ultraviolet have revealed the signature of atomic, molecular, and possibly aerosol species in the lower atmosphere of the planet, as well as escaping hydrogen and metals in the upper atmosphere. From a re-analysis of near-ultraviolet (NUV) transmission observations of HD 209458b, we detect ionized iron (Fe II) absorption in a 100 A-wide range around 2370 A, lying beyond the planetary Roche lobe. However, we do not detect absorption of equally strong Fe II lines expected to be around 2600 A. Further, we find no evidence for absorption by neutral magnesium (Mg I), ionized magnesium (Mg II), nor neutral iron (Fe I). These results avoid the conflict with theoretical models previously found by Vidal-Madjar et al. (2013), which detected Mg I but did not detect Mg II from this same data set. Our results indicate that hydrodynamic escape is strong enough to carry atoms as heavy as iron beyond the planetary Roche lobe, even for planets less irradiated than the extreme ultra-hot-Jupiters such as WASP-12b and KELT-9b. The detection of iron and non-detection of magnesium in the upper atmosphere of HD 209458b can be explained by a model in which the lower atmosphere forms (hence, sequesters) primarily magnesium-bearing condensates, rather than iron condensates. This is suggested by current microphysical models. The inextricable synergy between upper- and lower-atmosphere properties highlights the value of combining observations that probe both regions.",2001.03126v1 2020-03-22,Formation of embryos of the Earth and the Moon from the common rarefied condensation and their subsequent growth,"Embryos of the Moon and the Earth may have formed as a result of contraction of a common parental rarefied condensation. The required angular momentum of this condensation could largely be acquired in a collision of two rarefied condensations producing the parental condensation. With the subsequent growth of embryos of the Moon and the Earth taken into account, the total mass of as-formed embryos needed to reach the current angular momentum of the Earth-Moon system could be below 0.01 of the Earth mass. For the low lunar iron abundance to be reproduced with the growth of originally iron-depleted embryos of the Moon and the Earth just by the accretion of planetesimals, the mass of the lunar embryo should have increased by a factor of 1.3 at the most. The maximum increase in the mass of the Earth embryo due to the accumulation of planetesimals in a gas-free medium is then threefold, and the current terrestrial iron abundance is not attained. If the embryos are assumed to have grown just by accumulating solid planetesimals (without the ejection of matter from the embryos), it is hard to reproduce the current lunar and terrestrial iron abundances at any initial abundance in the embryos. For the current lunar iron abundance to be reproduced, the amount of matter ejected from the Earth embryo and infalling onto the Moon embryo should have been an order of magnitude larger than the sum of the overall mass of planetesimals infalling directly on the Moon embryo and the initial mass of the Moon embryo, which had formed from the parental condensation, if the original embryo had the same iron abundance as the planetesimals. The greater part of matter incorporated into the Moon embryo could be ejected from the Earth in its multiple collisions with planetesimals (and smaller bodies).",2003.09925v1 2020-07-01,Cobalt and copper abundances in 56 Galactic bulge red giants,"The Milky Way bulge is an important tracer of the early formation and chemical enrichment of the Galaxy. The abundances of different iron-peak elements in field bulge stars can give information on the nucleosynthesis processes that took place in the earliest supernovae. Cobalt (Z=27) and copper (Z=29) are particularly interesting.We aim to identify the nucleosynthesis processes responsible for the formation of the iron-peak elements Co and Cu. Methods. We derived abundances of the iron-peak elements cobalt and copper in 56 bulge giants, 13 of which were red clump stars. High-resolution spectra were obtained using FLAMES-UVES at the ESO Very Large Telescope by our group in 2000-2002, which appears to be the highest quality sample of high-resolution data on bulge red giants obtained in the literature to date. Over the years we have derived the abundances of C, N, O, Na, Al, Mg; the iron-group elements Mn and Zn; and neutron-capture elements. In the present work we derive abundances of the iron-peak elements cobalt and copper. We also compute chemodynamical evolution models to interpret the observed behaviour of these elements as a function of iron. The sample stars show mean values of [Co/Fe]~0.0 at all metallicities, and [Cu/Fe]~0.0 for [Fe/H]>-0.8 and decreasing towards lower metallicities with a behaviour of a secondary element. We conclude that [Co/Fe] varies in lockstep with [Fe/H], which indicates that it should be produced in the alpha-rich freezeout mechanism in massive stars. Instead [Cu/Fe] follows the behaviour of a secondary element towards lower metallicities, indicating its production in the weak s-process nucleosynthesis in He-burning and later stages. The chemodynamical models presented here confirm the behaviour of these two elements (i.e. [Co/Fe] vs. [Fe/H]~constant and [Cu/Fe] decreasing with decreasing metallicities).",2007.00397v1 2021-05-23,Decomposing the Iron Cross-Correlation Signal of the Ultra-Hot Jupiter WASP-76b in Transmission using 3D Monte-Carlo Radiative Transfer,"Ultra-hot Jupiters are tidally locked gas giants with dayside temperatures high enough to dissociate hydrogen and other molecules. Their atmospheres are vastly non-uniform in terms of chemistry, temperature and dynamics, and this makes their high-resolution transmission spectra and cross-correlation signal difficult to interpret. In this work, we use the SPARC/MITgcm global circulation model to simulate the atmosphere of the ultra-hot Jupiter WASP-76b under different conditions, such as atmospheric drag and the absence of TiO and VO. We then employ a 3D Monte-Carlo radiative transfer code, HIRES-MCRT, to self-consistently model high-resolution transmission spectra with iron (Fe I) lines at different phases during the transit. To untangle the structure of the resulting cross-correlation map, we decompose the limb of the planet into four sectors, and we analyse each of their contributions separately. Our experiments demonstrate that the cross-correlation signal of an ultra-hot Jupiter is primarily driven by its temperature structure, rotation and dynamics, while being less sensitive to the precise distribution of iron across the atmosphere. We also show that the previously published iron signal of WASP-76b can be reproduced by a model featuring iron condensation on the leading limb. Alternatively, the signal may be explained by a substantial temperature asymmetry between the trailing and leading limb, where iron condensation is not strictly required to match the data. Finally, we compute the $K_{p}-V_{sys}$ maps of the simulated WASP-76b atmospheres, and we show that rotation and dynamics can lead to multiple peaks that are displaced from zero in the planetary rest frame.",2105.11034v2 2021-07-13,How many explosions does one need? -- Quantifying supernovae in globular clusters from iron abundance spreads,"Many globular clusters (GCs) are known to host multiple populations distinguishable by their light-element content. Less common are GCs displaying iron abundance spreads which are seen as evidence for enrichment through core collapse supernovae (SNe). We present a simple analytical method to estimate the number of SNe required to have occurred in a GC from its metallicity and iron abundance spread. We then use this result to estimate how long star formation (SF) lasted to build the GC. We apply our method to up-to-date measurements and find that, assuming the correctness of these measurements, multiple SNe (up to $10^5$) are required in most GCs with iron abundance spreads. The number of SNe events which contributed to the enrichment of the GCs studied here is typically a factor of 10 less than the expected number of SNe in a canonical initial mass function (IMF). This indicates that gas expulsion from the forming GC occurred after the first 10 per cent of SNe exploded. We compute that for the GCs typically SF ends after only a few Myr (extending up to $\approx 30 ~\rm Myr$ in a few cases). We also discuss possible improvements of this method and especially its sensitivity to the error of iron abundance measurements of individual stars of a GC. The method presented here can quickly give an estimate for the number of SNe required to explain the iron abundance spread in a GC without the requirement of any hydrodynamical simulations.",2107.06240v3 2021-11-22,Chemo-Mechanical Phase-Field Modeling of Iron Oxide Reduction with Hydrogen,"The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction (HyDR). Iron oxide reduction with hydrogen has been widely investigated both experimentally and theoretically. The process includes multiple types of chemical reactions, solid state and defect-mediated diffusion (by oxygen and hydrogen species), several phase transformations, as well as massive volume shrinkage and mechanical stress buildup. In this work, a chemo-mechanically coupled phase-field (PF) model has been developed to explore the interplay between phase transformation, chemical reaction, species diffusion, large elasto-plastic deformation and microstructure evolution. Energetic constitutive relations of the model are based on the system free energy which is calibrated with the help of a thermodynamic database. The model has been first applied to the classical core-shell (w\""ustite-iron) structure. Simulations show that the phase transformation from w\""ustite to alpha-iron can result in high stress and rapidly decelerating reaction kinetics. Mechanical stresses can contribute elastic energy to the system, making phase transformation difficult. Thus slow reaction kinetics and low metallization are observed. However, if the stress becomes comparatively high, it can shift the shape of the free energy from a double-well to a single-well case and speed up the transformation. The model has been further applied to simulate an actual iron oxide specimen with its complex microstructure, characterized by electron microscopy. The simulation results show that isolated pores in the microstructure are filled with water vapor during reduction, an effect which influences the local reaction atmosphere and dynamics.",2111.11538v1 2021-11-30,A New Iron Emission Template for Active Galactic Nuclei. I. Optical Template for the H$β$ region,"We present a new empirical template for iron emission in active galactic nuclei (AGN) covering the $4000-5600$ A range. The new template is based on a spectrum of the narrow-line Seyfert 1 galaxy Mrk 493 obtained with the Hubble Space Telescope. In comparison with the canonical iron template object I Zw 1, Mrk 493 has narrower broad-line widths, lower reddening, and a less extreme Eddington ratio, making it a superior choice for template construction. We carried out a multicomponent spectral decomposition to produce a template incorporating all permitted and forbidden lines of Fe II identified in the Mrk 493 spectrum over this wavelength range, as well as lines from Ti II, Ni II, and Cr II. We tested the template by fitting it to AGN spectra spanning a broad range of iron emission properties, and we present a detailed comparison with fits using other widely used monolithic and multi-component iron emission templates. The new template generally provides the best fit (lowest $\chi^2$) compared to other widely used monolithic empirical templates. In addition, the new template yields more accurate spectral measurements including a significantly better match of the derived Balmer line profiles (H$\beta$, H$\gamma$, H$\delta$), in contrast with results obtained using the other templates. Our comparison tests show that the choice of iron template can introduce a systematic bias in measurements of the H$\beta$ line width, which consequently impacts single-epoch black hole mass estimates by $\sim0.1$ dex on average and possibly up to $\sim0.3-0.5$ dex individually.",2111.15118v2 2022-10-03,Physical Modeling of Dust Polarization from Magnetically Enhanced Radiative Torque (MRAT) Alignment in Protostellar Cores with POLARIS,"Magnetic fields ($\textbf{B}$) are an important factor that controls the star formation process. The leading method to observe $\textbf{B}$ is using polarized thermal emission from dust grains aligned with $\textbf{B}$. However, in dense environments such as protostellar cores, dust grains may have inefficient alignment due to strong gas randomizations, so that using dust polarization to trace $\textbf{B}$ is uncertain. Hoang $\&$ Lazarian (2016) demonstrated that the grain alignment by RAdiative Torques is enhanced if dust grains contain embedded iron inclusions. Here we extend POLARIS code to study the effect of iron inclusions on grain alignment and thermal dust polarization toward a protostellar core, assuming uniform magnetic fields. We found that paramagnetic grains produce a low polarization degree of $p \sim 1\%$ in the envelope and negligible $p \ll 1\%$ in the central region due to the loss of grain alignment. In contrast, grains with a high level of iron inclusions can have perfect alignment and produce high $p \sim 40\%$ in the envelope and low $p \leq 10\%$ in the central region. Grains with a moderate level of iron inclusions induce the polarization flipping from $\textbf{P}$ $\parallel$ $\textbf{B}$ at millimeter to $\textbf{P}$ $\perp$ $\textbf{B}$ at submillimeter due to the change in the internal alignment caused by slow internal relaxation. The weak alignment of very large grains of $a \geq 10\mu m$ reduces the polarization by dichroic extinction at submillimeter wavelengths. We found a positive correlation between p and the level of iron inclusions, which opens a new window to constrain the abundance of irons locked in dust through dust polarimetry.",2210.01036v3 2022-10-05,The magnetic properties of the iron phthalocyanine molecule grafted to the Ti$_2$C MXene layer,"The magnetic tetrapyrrole molecules (such as porphyrins and phthalocyanines) with an active transition metal atom in their centre are currently intensively studied as prosperous potential elements of devices for high-density information storage and processing. It has been recently proved that by means of external factors one could induce two stable fully controllable molecular states. Therefore, hybrid systems consisting of such magnetic molecules and suitable carriers from the family of two-dimensional materials are often considered as promising highly scalable spintronic systems that could in the near future lead to novel industrial applications. Here, we perform the spin polarised density functional theory (DFT) studies of the hybrid system, which is the iron phthalocyanine molecule (FePc) on the top of the titanium carbide Ti$_2$C MXene layer. The most relevant issue in this part is the interaction between magnetic atoms: Ti from MXene substrate and iron from FePc. Four various magnetic configurations of FePc/Ti$_2$C were considered. The significant ferromagnetic interaction between the iron atom and the upper titanium layer plays important role in the reorientation of the iron atom's magnetic moment. We also analyse a model of the system in which the FePc molecule is in a quintet state (the ground state of an isolated molecule is a triplet). To get a better understanding of the physics of the FePc/Ti$_2$C hybrid system, we studied the hybrid systems with a single iron atom and non-magnetic H$_2$Pc on the Ti$_2$C layer, Fe/Ti$_2$C and H$_2$Pc/Ti$_2$C, respectively, which nicely explains the role of the Pc ligand in the FePc/Ti$_2$C hybrid system.",2210.02141v1 2022-12-07,Nodal s$_\pm$ Pairing Symmetry in an Iron-Based Superconductor with only Hole Pockets,"The origin of the high temperature superconductivity in the iron-based superconductors remains elusive after being extensively studied for more than a decade. Determination of the pairing symmetry is essential in understanding the superconductivity mechanism. In the iron-based superconductors that have hole pockets around the Brillouin zone center and electron pockets around the zone corners, the pairing symmetry is generally considered to be s$_\pm$, endowing a sign change in the superconducting gap between the hole and electron pockets. For the iron-based superconductors with only hole pockets, however, a couple of pairing scenarios have been proposed but the exact symmetry is still highly controversial. Here we report our determination of the pairing symmetry in KFe$_2$As$_2$ which is a prototypical iron-based superconductor with hole pockets both around the zone center and around the zone corners. By taking laser-based angle resolved photoemission measurements with super-high resolution and at ultra-low temperature, we have precisely determined the superconducting gap distribution and identified the locations of the gap nodes on all the Fermi surface around the zone center and the zone corners. The complete superconducting gap structure, in combination with the observation of the spin resonance in neutron scattering, provides strong evidence on the s$_\pm$ pairing symmetry in KFe$_2$As$_2$ with a gap sign reversal between the hole pockets around the zone center and the hole pockets around the zone corners. These results unify the pairing symmetry in the hole-doped iron-based superconductors and point to the spin fluctuation as the pairing glue in generating superconductivity.",2212.03472v1 2023-03-20,Machine learning assisted phase and size-controlled synthesis of iron oxides,"The controllable synthesis of iron oxides particles is a critical issue for materials science, energy storage, biomedical applications, environmental science, and earth science. However, synthesis of iron oxides with desired phase and size are still a time-consuming and trial-and-error process. This study presents solutions for two fundamental challenges in materials synthesis: predicting the outcome of a synthesis from specified reaction parameters and correlating sets of parameters to obtain products with desired outcomes. Four machine learning algorithms, including random forest, logistic regression, support vector machine, and k-nearest neighbor, were trained to predict the phase and particle size of iron oxide based on experimental conditions. Among the models, random forest exhibited the best performance, achieving 96% and 81% accuracy when predicting the phase and size of iron oxides in the test dataset. Premutation feature importance analysis shows that most models (except logistic regression) rely on known features such as precursor concentration, pH, and temperature to predict the phases from synthesis conditions. The robustness of the random forest models was further verified by comparing prediction and experimental results based on 24 randomly generated methods in additive and non-additive systems not included in the datasets. The predictions of product phase and particle size from the models are in good agreement with the experimental results. Additionally, a searching and ranking algorithm was developed to recommend potential synthesis parameters for obtaining iron oxide products with desired phase and particle size from previous studies in the dataset.",2303.11244v1 1997-02-17,Lack of Evolution in the Iron Abundance in Clusters of Galaxies and Implications for the Global Star Formation Rate at High Redshift,"We present the first large sample of accurate iron abundances and temperatures for clusters at redshifts greater than 0.14. We find that the Fe abundance shows little or no evolution out to redshift 0.3. This and the early formation epoch of elliptical galaxies in clusters indicate that most of the enrichment of the intracluster medium occurred at redshifts greater than 1. If clusters represent fair samples of the universe, then global metal production is 2-5 times greater than is inferred from recent studies of galaxies at low and high redshifts.",9702149v1 1997-02-21,Reply to ``Roles of SNIa and SNII in ICM Enrichment'' by Y. Ishimaru and N. Arimoto,"We address a number of misunderstandings and misstatements contained in the paper ``Roles of SNIa and SNII in ICM Enrichment'' by Y. Ishimaru and N. Arimoto with regard to the papers by Mushotzky et al. (1996, ApJ, 466, 686) and Loewenstein and Mushotzky (1996, ApJ, 466, 695). In particular, we emphasize that comparison between observations and models in these papers were made self-consistently assuming a particular (photospheric) value for the solar iron abundance. We also briefly revisit the question of the contribution of Type Ia supernovae to the iron enrichment of the intracluster medium.",9702190v1 1998-02-03,Iron Kalpha line widths in magnetic cataclysmic variables,"Following a recent report that AO Psc has broad iron Kalpha emission lines we have looked at the ASCA spectra of 15 magnetic cataclysmic variables. We find that half of the systems have Kalpha lines broadened by ~200 eV, while the remainder have narrow lines. We argue that the Doppler effect is insufficient to explain the finding and propose that the lines originate in accretion columns on the verge of optical thickness, where Compton scattering of resonantly-trapped line photons broadens the profile. We suggest that the broadening is a valuable diagnostic of conditions in the accretion column.",9802040v1 1998-05-19,Multi-Element Doppler Imaging of the Ap star epsilon Ursae Majoris,"The surface distribution of five elements: iron, chromium, titanium, magnesium and manganese on the magnetic A0pCr star epsilon UMa, have been calculated using the Doppler imaging technique. We found that iron, chromium and manganese are correlated with the assumed dipole magnetic field geometry of this star, which is apparently not the case of magnesium and titanium.",9805244v1 1998-10-30,Spinning Black Holes in Active Galactic Nuclei,"Recent X-ray spectroscopy made with ASCA have shown broad, skewed iron line emission from Seyfert-1 galaxies. The large extent of the red tail allows probing of the innermost regions of the black hole's accretion disc. A model of line emission has been developed and very strong evidence for the presence of a rapidly rotating Kerr black hole has been established in the case of MCG--6-30-15. Issues related to the observed line equivalent width and the position/geometry of the primary source are discussed. Both the continuum and the reflected iron line are computed, in a consistent manner, for a source located on the axis of rotation.",9810494v1 2000-11-10,The formation of life,"The formation of life is an automatic stage in the consolidation of rocky or ""terrestrial"" planets. The organic (=carbonaceous) matter, light elements, gases, and water must ""float"" toward the surface and the heavier metals must sink toward the center. Random processes in the molecular soup that fills microfractures in unmelted crust eventually produce self-replicating microtubules. In an appendix I suggest that some primordial crust remains because there is not enough consolidation energy to melt the whole planet. Energy is lost when iron planetesimals first partially melt and then coalesce to form the molten iron planetary core. Stony planetesimals accrete onto the surface of an already consolidated core.",0011209v1 2001-09-17,Iron line profiles from black hole accretion discs with spiral velocity structure,"We calculate the iron line profiles from accretion discs with spiral velocity structures around Schwarzschild black holes. We find that quasi-periodic bumps appear in the the profiles, thereby providing a test for spiral wave patterns. This study is motivated by recent work showing that spiral density waves can result from MHD instabilities even in non-self-gravitating discs, and by improved spectral resolution of forthcoming X-ray missions.",0109243v1 2002-01-12,"On the origin of the broad, relativistic iron line of MCG-6-30-15 observed by XMM-Newton","The relativistic iron line profile recently observed by XMM-Newton in the spectrum of the Seyfert 1 galaxy MCG--6-30-15 (Wilms et al., 2001) is discussed in the framework of the lamp-post model. It is shown that the steep disc emissivity, the large line equivalent width and the amount of Compton reflection can be self- consistently reproduced in this scenario.",0201192v1 2002-01-17,FUSE observations of the central star of Abell 78,"FUSE high resolution spectra of two PG1159 type central stars (K1-16 and NGC 7094) have revealed an unexpected iron deficiency of at least 1 or 2 dex (Miksa et al. 2002). Here we present early results of FUSE spectroscopy of the CSPN Abell 78. It is shown that iron is strongly deficient in this star, too.",0201280v1 2002-02-07,Fe-deficiency in H-deficient post-AGB stars due to n-capture nucleosynthesis,"H-deficient post-AGB objects, e.g. PG1159 type star K1-16 and born-again AGB star Sakurai's object, have been reported to be significantly iron-deficient. We find that the iron deficiencies expected due to neutron-capture nucleosynthesis during either the progenitor AGB evolution and/or the neutron burst that occurs as a result of the rapid burning of protons during a post-AGB He-flash are generally in line with observations.",0202143v1 2002-08-28,Metal abundances in PG1159 stars from Chandra and FUSE spectroscopy,"We investigate FUSE spectra of three PG1159 stars and do not find any evidence for iron lines. From a comparison with NLTE models we conclude a deficiency of 1-1.5 dex. We speculate that iron was transformed into heavier elements. A soft X-ray Chandra spectrum of the unique H- and He-deficient star H1504+65 is analyzed. We find high neon and magnesium abundances and confirm that H1504+65 is the bare core of either a C-O or a O-Ne-Mg white dwarf.",0208505v1 2002-11-06,Iron abundances in hydrodynamical simulations of galaxy clusters,"Hydrodynamical SPH simulations of galaxy clusters are used to investigate the metal enrichment of the intracluster medium. The final metallicity abundances of the simulated clusters are determined according to the numerical resolution and a number of model parameters. For a fiducial set of model prescriptions the results of the simulations indicate iron abundances in broad agreement with data. Final X-ray properties are not sensitive to the heating of the ICM. This supports a scenario where the ICM evolution of cool clusters is driven by radiative cooling.",0211111v1 2003-02-18,The recent X-ray history of NGC 5506,"We present a detailed discussion of the spectral and spatial components of NGC 5506, based on XMM-Newton, Chandra and BeppoSAX observations. The overall picture consists of a nucleus absorbed by cold gas with column density of $\approx10^{22}$ cm$^{-2}$ and surrounded by a Compton-thick torus, whose existence is inferred by a cold reflection component and an iron K$\alpha$ line. On a much larger scale, a photoionized gas extended on $\approx350$ pc reprocesses the nuclear radiation, producing a soft excess and ionized iron lines. Noteworthy, we find no evidence for the presence of the accretion disc.",0302349v1 2003-11-03,Iron Emission in z ~ 6 QSOs and its Possible Implications,"We have obtained low-resolution near-infrared spectra of five SDSS QSOs at 5.3 < z < 6.3 using the NICMOS instrument of the Hubble Space Telescope. We find evidence of emission in the Fe II complex centered near 2500 A (rest) in all five objects. We estimate Fe II / Mg II 2800 A flux ratios comparable to those measured in QSOs at lower redshifts, which indicate metallicities near or above the solar level. We discuss the possible implications of this result assuming the iron enrichment to have been produced mainly in Type Ia supernovae.",0311043v1 2004-02-12,Accurate Modelling of Relativistic Iron Lines from Accretion Discs,"Observations of fluorescent iron lines from accreting black holes provide one of the best tests of strong field gravity available to date, and the only current observational tool to probe black hole spacetime. However, the two most widely used models for spectral fitting (diskline, laor) are over a decade old and have significant limitations. We present a new code for calculating these effects which will be incorporated within the XSPEC package",0402279v1 2004-06-10,The sharp drop in the flux striking the accretion disk,"In this paper,We present a simple relativistic approach to analyze the flux striking the disk which is possibly from a source up the Black hole.The X-ray source is locate above an accretion disc orbiting around the black hole,this assumption is invoked by recent studies about iron k$\alpha$. we compute and arguing that due to the light bending effect near black hole, the flux striking the disk surface may be very concentrated,which will undoubtable change the disk's ionization state hence change the iron line's ionization state and emissivity.Also,Our model may explain the steep power law when modelling the lines.",0406258v1 2004-10-29,Chemical abundances of RGB-Tip stars in the Sagittarius dwarf Spheroidal galaxy,"We present preliminary iron abundances and $\alpha$ element (Ca, Mg) abundance ratios for a sample of 22 Red Giant Branch (RGB) Stars in the Sagittarius dwarf spheroidal galaxy (Sgr), selected near the RGB-Tip. The sample is representative of the Sgr dominant population. The mean iron abundance is [Fe/H]=-0.49. The $\alpha$ element abundance ratios are slightly subsolar, in agreement with the results recently prensented by Bonifacio et al.(2004, A&A, 414, 503).",0410749v1 2004-11-06,Surface Evidence of an Iron-Rich Solar Interior and a Neutron-Rich Solar Core,"Quantitative data on the solar wind, solar magnetic fields, solar eruptions, solar neutrinos, and on the planetary material orbiting the Sun all indicate the presence of an iron-rich solar interior and a neutron star at the core of the Sun. Solar magnetic fields are deep-seated remnants from the core and/or Bose-Einstein condensation of Fe-rich material into a rotating superconductor. Neutron emission from the core triggers a series of reactions that produce solar luminosity, the H carrier gas that maintains mass separation in the Sun, and an outpouring of 3 E43 H+ ions per year in the solar wind.",0411163v1 2005-01-31,Resonant Auger Destruction and Iron K-Alpha Spectra in Compact X-ray Sources,"We examine the effects of resonant Auger destruction in modifying the intensities and flux distributions of K-alpha spectra from iron L-shell ions. Applications include X-ray irradiated stellar winds in X-ray binaries and accretion disk atmospheres. Using detailed atomic models, we find that resonant Auger destruction is selective, in that only a subset of the emitted K-alpha lines is highly attenuated. We also show that that the local excitation conditions can have a dramatic effect on the K-alpha emissivity spectrum.",0502002v1 2007-01-24,Photospheric magnetic field and chromospheric emission,"We present a statistical analysis of network and internetwork properties in the photosphere and the chromosphere. For the first time we simultaneously observed (a) the four Stokes parameters of the photospheric iron line pair at 630.2 nm and (b) the intensity profile of the Ca II H line at 396.8 nm. The vector magnetic field was inferred from the inversion of the iron lines. We aim at an understanding of the coupling between photospheric magnetic field and chromospheric emission.",0701681v1 1996-02-11,Theory on the Itinerant Ferromagnetism in the $3d$-transition metal systems,"Keeping nickel, cobalt and iron in mind, we investigate the origin of the itinerant ferromagnetism. In so doing, we generalize the Gutzwiller approximation. In that,we take account of the effect of the band degeneracy and the Hund's-rule coupling in addition to the on-site repulsion. After the discussion on nickel, the condition for the incomplete ferromagnetism, observed in cobalt and iron, is argued. Phase diagrams, which show the interplay between the band shape peculiarity and the Hund's-rule coupling, are given. It is found that for the $3d$-transition metal systems, both of the Hund's-rule coupling and the special feature of the density of states are necessary to explain the itinerant ferromagnetism.",9602058v1 1999-12-14,Hall cross size scaling and its application to measurements on nanometer-size iron particle arrays,"Hall crosses were used to measure the magnetic properties of arrays of ferromagnetic, nanometer-scale iron particles. The arrays typically consist of several hundred particles of 9 -- 20 nm in diameter. It is shown that the sensitivity of the measurements can be improved by matching the areas of the Hall cross and the array grown onto it by at least an order of magnitude. We predict that single particles of diameter as small as 10 nm can be measured if grown onto a Hall cross of appropriate size.",9912266v1 2000-08-15,"Electronic structure, hyperfine interactions and disordering effects in iron nitride Fe4N","Iron nitride Fe4N is studied by full-potential LAPW method. Structure parameters, electronic and magnetic properties as well as hyperfine interaction parameters are obtained. We observe perfect agreement with experimental results. Hypothetical Fe4N structure was also calculated to study the influence of disordering effects on parameters of Moessbauer spectra. We performed detailed analysis of EFG formation on Fe nuclei including magnetization effects. We show that the formation of N-Fe-N local configuration is energetically favourable in nitrogen austenites.",0008214v1 2001-12-20,Ferromagnetic and antiferromagnetic spin fluctuations and superconductivity in the hcp-phase of Fe,"High purity iron, which transforms into the hcp phase under pressure, has recently been reported to be superconducing in the pressure range 150-300 kBar [shim]. The electronic structure and the electron-phonon coupling ($\lambda_{ph}$) are calculated for hcp iron at different volumes. A parameter-free theory for calculating the coupling constants $\lambda_{sf}$ from ferromagnetic (FM) and antiferromagnetic (AFM) spin fluctuations is developed. The calculated $\lambda_{sf}$ are sufficiently large to explain superconductivity especially from FM fluctuations. The results indicate that superconductivity mediated by spin fluctuations is more likely than from electron-phonon interaction.",0112382v1 2002-05-29,Influence of nonstoichiometry and iron doping on optical absorption in KNbO3 single crystal,"Single crystals of KNbO3 and KNbO3 : Fe have been grown using the flux method at various technological conditions. The investigations of optical absorption of these crystals were carried out. Marked influence of technological conditions and doping with iron on optical absorption has been found. Observed changes of the absorption spectra are associated with lattice defects arising due to nonstoichiometry and/or doping.",0205611v1 2002-11-12,Magneto-Optical Kerr Effect of Iron Thin Films on Paramagnetic Substrates,"First principles calculations of the magnetic properties and the magneto-optical Kerr effect (MOKE) of iron thin films epitaxially grown on the [001] surface of paramagnetic metals: copper, silver, gold, palladium, and platinum are presented. The role of hybridization with the substrate is investigated and it is shown how the relaxation effects influence the complex Kerr angle. The results are obtained by means of the relativistic full-potential linear muffin-tin method, and the film is modeled using a slab geometry within a supercell technique.",0211234v1 2004-06-18,First principles simulations of the magnetic and structural properties of Iron,"We have implemented non-collinear GGA and a generalized Bloch's theorem to simulate unconmensurate spiral arrangements of spins in a Density Functional Theory code based on localized wave functions. We have subsequently performed a thorough study of the different states of bulk Iron. We determine the minimal basis set required to obtain reliable orderings of ground and excited states. We find that the most stable fcc phase is a spiral with an equilibrium lattice constant 3.56 A.",0406424v1 2004-07-27,Composition dependent magnetic properties of iron oxide - polyaniline nanoclusters,"Gamma - Iron Oxide prepared by sol -gel process was used to produce nanocomposites with polyaniline of varying aniline concentrations. TEM shows the presence of chain like structure for lower polyaniline concentration. The room temperature hysteresis curves show finite coercivity of 160 Oe for all the composites while the saturation magnetization was found to decrease with increasing polymer content. ZFC - FC magnetisation measurements indicate high blocking temperatures. It is believed that this indicates a strongly interacting system, which is also shown by our TEM results. Monte Carlo simulations performed on a random anisotropy model with dipolar and exchange inteactions match well with experimental results.",0407693v1 2005-10-31,Fe3O4(001) films on Fe(001) - termination and reconstruction of iron rich surfaces,"High-quality and impurity-free magnetite surfaces with (sqrt2xsqrt2)R45o reconstruction have been obtained for the Fe3O4(001) epitaxial films deposited on Fe(001). Based on atomically resolved STM images for both negative and positive sample polarity and Density Functional Theory calculations, a model of the magnetite (001) surface terminated with Fe ions forming dimers on the reconstructed (sqrt2xsqrt2)R45o octahedral iron layer is proposed.",0510821v2 2006-06-16,An iron(III) phosphonate cluster containing a nonanuclear ring,"This communication reports the first example of cyclic ferric clusters with an odd number of iron atoms capped by phosphonate ligands, namely, [Fe9(m-OH)7(m-O)2(O3PC6H9)8-(py)12]. The magnetic studies support a S = 1/2 ground state with an exchange coupling constant of about J = -30 K.",0606452v1 2006-12-12,First-principles thermoelasticity of bcc iron under pressure,"We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the first-principles linear response linear-muffin-tin-orbital method and the generalized-gradient approximation. We include the electronic excitation contributions to the free energy from the band structures, and phonon contributions from quasi-harmonic lattice dynamics. We make detailed comparisons between our calculated elastic moduli and their temperature and pressure dependences with available experimental and theoretical data.",0612308v1 2007-01-10,Computational approach to finite size and shape effects in iron nanomagnets,"We develop and validate a computational approach to nanomagnets. It is built on the spin wave approximation to a Heisenberg ferromagnet whose parameters can be calculated from a first principles theory (e.g. density functional theory). The method can be used for high throughput analysis of a variety of nanomagnetic materials. We compute the dependence of the magnetization of an iron nanomagnet on temperature, size and shape. The approach is applied to nanomagnets in the range of 432 atoms to 59 million atoms, a size which is several orders of magnitude beyond the scalability of density functional theory.",0701225v1 2007-02-05,"Theory of Layered Iron Oxide on Frustrated Geometry: Electric Polarization, Magnetoelectric Effect and Orbital State","A layered iron oxide \rfeo ($R$: rare-earth elements) is an exotic dielectric material with charge-order (CO) driven electric polarization and magnetoelectric effect caused by spin-charge coupling. In this paper, a theory of electronic structure and dielectric property in \rfeo is presented. Charge frustration in paired-triangular lattices allows a charge imbalance without inversion symmetry. Spin frustration induces reinforcement of this polar CO by a magnetic ordering. We also analyze an orbital model for the Fe ion which does not show a conventional long-range order.",0702087v2 1999-03-22,Electron Response and e/h Ratio of Iron-Scintillator Hadron Prototype Calorimeter with Longitudinal Tile Configuration,"The detailed information about electron response, electron energy resolution and e/h ratio as a function of incident energy E, impact point Z and incidence angle $\Theta$ of iron-scintillator hadron prototype calorimeter with longitudinal tile configuration is presented. These results are based on electron and pion beams data of E = 20, 50, 100, 150, 300 GeV at $\Theta = 10^o, 20^o, 30^o$, which were obtained during test beam period in July 1995. The obtained calibration constant is used for muon response converting from pC to GeV. The results are compared with existing experimental data and with some Monte Carlo calculations.",9903050v1 1999-03-22,Non-Compensation of the Barrel Tile Hadron Module-0 Calorimeter,"The detailed experimental information about the electron and pion responses, the electron energy resolution and the e/h ratio as a function of incident energy E, impact point Z and incidence angle $\Theta$ of the Module-0 of the iron-scintillator barrel hadron calorimeter with the longitudinal tile configuration is presented. The results are based on the electron and pion beams data for E = 10, 20, 60, 80, 100 and 180 GeV at $\eta$ = -0.25 and -0.55, which have been obtained during the test beam period in 1996. The results are compared with the existing experimental data of TILECAL 1m prototype modules, various iron-scintillator calorimeters and with some Monte Carlo calculations.",9903054v1 2000-10-17,Possible Observation of a Second Kind of Light,"According to classical electrodynamics, sunlight that is passed through an iron layer can be detected with the naked eye only if the thickness of the layer is less than 170nm. However, in an old experiment, August Kundt was able to see the sunlight with the naked eye even when it had passed an iron layer with thickness greater than 200nm. To explain this observation, we propose a second kind of light which was introduced in a different context by Abdus Salam. A tabletop experiment can verify this possibility.",0010040v1 2003-01-10,Modeling skin effect in large magnetized iron detectors,"The experimental problem of the calibration of magnetic field in large iron detectors is discussed. Emphasis is laid on techniques based on ballistic measurements as the ones employed by MINOS or OPERA.In particular, we provide analytical formulas to model the behavior of the apparatus in the transient regime, keeping into account eddy current effects and the finite penetration velocity of the driving fields. These formulas ease substantially the design of the calibration apparatus.Results are compared with experimental data coming from a prototype of the OPERA spectrometer.",0301015v1 2004-01-26,"Local density and the RPA corrections in charge current quasielastic neutrino on Oxygen, Argon and Iron scattering","Numerical computations of cross sections for quasielastic charge current scattering of neutrino on Oxygen, Argon and Iron in Local Density Approximation (LDA) are presented. We consider processes for a few GeV neutrino energy. We include corrections from nucleon re-interaction in nucleus described by relativistic Random Phase Approximation (RPA). We adopt the relativistic Fermi gas model of nucleus with and without taking into account the effective mass of nucleons.",0401053v2 2007-04-13,Towards understanding of birds magnetoreceptor mechanism,"In the present letter we suggest a new theoretical model for a quantitative description of the magnetoreception mechanism in birds. The considered mechanism involves two types of iron minerals (magnetite and maghemite) which were found in subcellular compartments within sensory dendrites of the upper beak of several bird species. The analysis of forces acting between the iron particles shows that the orientation of the external geomagnetic field can significantly change the probability of the mechanosensitive ion channels opening and closing. The performed theoretical analysis shows that the suggested magnetoreceptor system might be a sensitive biological magnetometer providing an essential part of the magnetic map for navigation.",0704.1763v1 2007-05-29,A Challenge to Control Gravity via Applying Electromagnetic Low-Frequency Radiation - Theory and Proposed Model Experiments,"Including Vaidya metric into the model of Expansive Nondecelerative Universe allows to localize the energy of gravitational field. A term of effective gravitational range is introduced and classic Newton potential is substituted for Yukawa-type potential. It allows to allocate a typical frequency value to each gravitational field. Derived theoretical conclusions led us to investigate the effect of electromagnetic field with a precisely predetermined frequency and intensity on iron. We believe that under certain circumstances a decrease in iron gravitational mass should be observed. Two model experiments verifying the theoretical conclusions are proposed.",0705.4143v2 2007-09-06,Muon Identification without Iron,"Muons can be identified with high efficiency and purity and reconstructed with high precision is a detector with a dual readout calorimeter and a dual solenoid to return the flux without iron. We shown CERN test beam data for the calorimeter and calculations for the magnetic fields and the track reconstruction. For isolated tracks, the rejection of pions against muons ranges from $10^3$ at 20 GeV/c to $10^5$ at 300 GeV/c.",0709.0768v1 2007-11-28,Evidence for Two Current Conduction in Iron,"Measurements of resistivities of dilute iron based alloys show strong deviations from Matthiessen's rule. These deviations can be explained by a model in which spin up and spin down electrons conduct in parallel. The results are consistent with the theory of impurity shielding in these alloys. [This 1967 paper provides the first experimental demonstration of two current conduction at low temperatures in a ferromagnetic metal. One direct consequence of this property is the Giant Magnetoresistance discovered in 1988 by the groups of Albert Fert and of Peter Gr\""unberg].",0711.4478v1 2008-04-03,Orbital Degeneracy and the Microscopic Model of the FeAs Plane in the Iron-Based Superconductors,"A microscopic model for the FeAs plane in the newly discovered Iron-based superconductors is proposed with the emphasis on the role of the orbital degeneracy between the Fe $3d_{xz}$ and $3d_{yz}$ orbital in the crystal field environment. The model predicts commensurate antiferromagnetic ordered ground state for the parent compounds and a d-wave superconducting ground state at finite doping. Inter-orbital couplings plays an interesting role in enhancing both orders. Correlated variational wave functions are proposed for both ordered phases.",0804.0536v1 2008-04-10,Spin-triplet p-wave pairing in a 3-orbital model for iron pnictide superconductors,"We examine the possibility that the superconductivity in the newly discovered FeAs materials may be caused by the Coulomb interaction between d-electrons of the iron atoms. We find that when the Hund's rule ferromagnetic interaction is strong enough, the leading pairing instability is in spin-triplet p-wave channel in the weak coupling limit. The resulting superconducting gap has nodal lines on the 3D Fermi surfaces. The k dependent hybridization of several orbitals around a Fermi pocket is the key for the appearance of the spin-triplet p-wave pairing.",0804.1739v3 2008-05-06,The minimum model for the iron-based superconductors,"A single band $t$-$U$-$J_1$-$J_2$ model is proposed as the minimum model to describe the superconductivity of the newly discovered iron-based superconductors $R(O_{1-x}F_x)FeAs$ and $RO_{1-x}FeAs$ ($R=La, Ce, Sm, Pr, Nd,Gd$). With the mean-field approach, it is found that the pairing occurs in the d-wave channel. In the likely parameter region of the real materials, by lowering temperature, the system enters firstly the $d_{xy}$ superconducting phase with $D_{4h}$-symmetry and then enters the time-reversal-symmetry-broken $d_{xy}+id_{x^2-y^2}$ superconducting phase with $C_{4h}$-symmetry.",0805.0644v1 2008-05-07,Design Methodology and Manufacture of a Microinductor,"Potential core materials to supersede ferrite in the 0.5-10 MHz frequency range are investigated. The performance of electrodeposited nickel-iron, cobalt-iron-copper alloys and the commercial alloy Vitrovac 6025 have been assessed through their inclusion within a custom-made solenoid microinductor. Although the present inductor, at 500 KHz, achieves 77% power efficiency for 24.7W/cm3 power density, an optimized process predicts a power efficiency of 97% for 30.83W/cm3 power density. The principle issues regarding microinductor design and performance are discussed.",0805.0859v1 2008-06-10,Synthesis and Microstructural Studies of Iron Based LaO1-xFxFeAs Superconducting Materials,"We report on the synthesis and microstructural studies of fluorine based iron doped superconductors. We have successfully synthesized the fluorine based new superconducting material LaO1-xFxFeAs by choosing comparatively lower temperature and longer synthesis duration. The superconducting transition temperature that we have achieved is 27.5 K which is observed at doping level of x=0.2. The structural microstructural characterizations have been done by employing XRD, SEM and TEM techniques. The SEM and TEM micrographs reveal the layered structure.",0806.1661v1 2008-06-17,Large Seebeck coefficients in Iron-oxypnictides : a new route towards n-type thermoelectric materials,"The iron-oxypnictide compounds, recently reported as a new class of superconductors when appropriately doped, exhibit large Seebeck coefficients, of the order of -100 microV/K, while keeping good electrical conductivity. Their power factor shows a peak at low temperatures, suggesting possible applications of these materials in thermoelectric cooling modules in the liquid nitrogen temperature range.",0806.2751v1 2008-06-19,Possible unconventional superconductivity in iron-based layered compound LaFePO: Study of heat capacity,"Heat capacity measurements were performed on recently discovered iron based layered superconductors, non doped LaFePO and fluorine doped LaFePO. A relatively large electronic heat capacity coefficient and a small normalized heat capacity jump at Tc = 3.3 K were observed in LaFePO. LaFePO0.94F0.06 had a smaller electronic heat capacity coefficient and a larger normalized heat capacity jump at Tc = 5.8 K. These values indicate that these compounds have strong electron electron correlation and magnetic spin fluctuation, which are the signatures of unconventional superconductivity mediated by spin fluctuation.",0806.3139v1 2008-06-30,The superconductivity at 18 K in LiFeAs system,"A new iron arsenide superconducting system LiFeAs was found that crystallizes into a tetragonal structure with space group P4/nmm. The superconductivity with Tc up to 18 K was observed in the compounds. This simple 111 type layered iron arsenide superconductor can be viewed as an analogue of the infinite layer structure of copper oxides.",0806.4688v3 2008-07-04,Lattice dynamical calculations of infinite layer iron oxides SrFeO2 and CaFeO2,"We report extensive lattice dynamical calculations of the newly discovered infinite-layer iron oxides SrFeO2 and CaFeO2. For SrFeO2, the parameters of the interatomic potential have been determined to reproduce the zone-centre phonon frequencies reported using ab-initio calculations. Further we have extended the potential model for calculations of CaFeO2. The potential parameters are found to be transferable between the two compounds, and are used to calculate the phonon spectra in the whole Brillouin zone and several thermodynamic properties for these compounds. The calculations show fair agreement with the available experimental data of structure, thermal expansion, and mean-squared amplitudes of the atoms.",0807.0716v1 2008-07-28,Multiple Gaps and Superfluid Density from Interband Pairing in Iron Oxypnictides,"We study a four-band model for the iron oxypnictides, in which the superconducting properties are assumed to be determined by the interband coupling between hole-like and electron-like Fermi sheets. We show that reasonable parameters can account for the angle-resolved photoemission spectra showing multiple gaps in Ba$_{1-x}$K$_x$Fe$_2$As$_2$, and for the temperature dependence of the superfluid density. At the same time, the zero-temperature value of the superfluid density shows a conventional scaling with the number of carriers.",0807.4408v1 2008-08-09,Transport and Magnetic Properties of FexVse2 (x = 0 - 0.33),"We present our results of the effect of Fe intercalation on the structural, transport and magnetic properties of 1T-VSe2. Intercalation of iron, suppresses the 110K charge density wave (CDW) transition of the 1T-VSe2. For the higher concentration of iron, formation of a new kind of first order transition at 160K takes place, which go on stronger for the 33% Fe intercalation. Thermopower of the FexVSe2 compounds (x = 0 - 0.33), however do not show any anomaly around the transition. The intercalation of Fe does not trigger any magnetism in the weak paramagnetic 1T-VSe2, and Fe is the low spin state of Fe3+.",0808.1333v1 2008-08-24,Theory for Superconductivity in Iron Pnictides at Large Coulomb U Limit,"Superconductivity in iron pnictides is studied by using a two-orbital Hubbard model in the large U limit. The Coulomb repulsion induces an orbital-dependent pairing between charge carriers. The pairing is found mainly from the scattering within the same Fermi pocket. The inter-pocket pair scatterings determine the symmetry of the superconductivity, which is extended s-wave at small Hund's coupling, and d-wave at large Hund's coupling and large U. The former is consistent with recent experiments of ARPES and Andreev reflection spectroscope.",0808.3234v2 2008-08-27,Charge dynamics in the normal state of the iron oxypnictide superconductor LaFePO,"We present the first infrared and optical study in the normal state of ab-plane oriented single crystals of the iron-oxypnictide superconductor LaFePO. We find that this material is a low carrier density metal with a moderate level of correlations and exhibits signatures of electron-boson coupling. The data is consistent with the presence of coherent quasiparticles in LaFePO.",0808.3748v1 2008-09-04,Impurity states in antiferromagnetic Iron Arsenides,"We explore theoretically impurity states in the antiferromagnetic spin-density wave state of the iron arsenide. Two types of impurity models are employed: one has only the intraband scattering while the other has both the intraband and interband scattering with the equal strength. Interestingly, the impurity bound state is revealed around the impurity site in the energy gap for both models. However, the impurity state is doubly degenerate with respect to spin for the first case; while the single impurity state is observed in either the spin-up or spin-down channel for the second one. The impurity-induced variations of the local density of states are also examined.",0809.0795v1 2008-09-22,"High-Tc Superconductivity in some Heavy Rare-earth Iron-arsenide REFeAsO1-delta(RE = Ho, Y, Dy and Tb) Compounds","New iron-arsenide superconductors of REFeAsO1-delta (RE = Ho, Y, Dy and Tb) were successfully synthesized by a high pressure synthesizing method with a special rapid quenching process, with the onset superconducting critical temperatures at 50.3 K, 46.5 K, 52.2K and 48.5 K for RE = Ho, Y, Dy and Tb respectively.",0809.3582v1 2008-10-13,Antiferromagnetic Correlation and the Pairing Mechanism of the Cuprates and Iron Pnictides : a View From the Functional Renormalization Group Studies,"We compare the one-loop functional renormalization group results for the cuprates and the iron pnictides. Interestingly a coherent picture suggesting that antiferromagnetic correlation causes pairing for both materials emerges.",0810.2320v2 2008-10-17,"Structure, antiferromagnetism and superconductivity of the layered iron arsenide NaFeAs","A new layered iron arsenide NaFeAs isostructural with the superconducting lithium analogue, displays evidence for the coexistence of superconductivity and magnetic ordering.",0810.3214v2 2008-10-28,Enhanced low-energy spin dynamics with diffusive character in the iron-based superconductor (La0.87Ca0.13)FePO: Analogy with high Tc cuprates (A short note),"In a recent NMR investigation of the iron-based superconductor (La0.87Ca0.13)FePO [Phys. Rev. Lett. 101, 077006 (2008)] Y. Nakai et al. reported an anomalous behavior of the nuclear spin-lattice relaxation of 31P nuclei in the superconducting state: The relaxation rate 1/T1 strongly depends on the measurement frequency and its T dependence does not show the typical decrease expected for the superconducting state. In this short note, we point out that these two observations bear similarity with the situation is some of the high Tc cuprates.",0810.5135v1 2008-11-05,Superconductivity in S-substituted FeTe,"We have successfully synthesized a new superconducting phase of FeTe1-xSx with a PbO-type structure. It has the simplest crystal structure in iron-based superconductors. Superconducting transition temperature is about 10 K at x = 0.2. The upper critical field Hc2 was estimated to be ~70 T. The coherent length was calculated to be ~2.2 nm. Because FeTe1-xSx is composed of nontoxic elements, this material is a candidate for applications and will activate more and more research on iron-based superconductor.",0811.0711v2 2008-12-01,High - Temperature Superconductivity in Iron Based Layered Compounds,"We present a review of basic experimental facts on the new class of high - temperature superconductors - iron based layered compounds like REOFeAs (RE=La,Ce,Nd,Pr,Sm...), AFe_2As_2 (A=Ba,Sr...), AFeAs (A=Li,...) and FeSe(Te). We discuss electronic structure, including the role of correlations, spectrum and role of collective excitations (phonons, spin waves), as well as the main models, describing possible types of magnetic ordering and Cooper pairing in these compounds.",0812.0302v1 2008-12-31,Experimental Detection of Sign-Reversal Pairing in Iron-Based Superconductors,"We propose a modified Josephson corner-junction experiment which can test whether the order parameter in the iron pnictides changes sign between the electron and hole pockets of the Fermi surface.",0901.0038v3 2009-01-19,Possible Kondo effect in the iron arsenides,"The normal state of the iron arsenides shows the poor metallic behavior mixed with strong magnetic fluctuations. In particular, some FeAs-1111 and FeAs-122 compounds show the linear-T dependence of susceptibility above the spin-density wave (SDW) transition and the logarithmic upturn of resistivity at low temperatures. We suggest that this is due to the spin-flip scattering between the charge carriers and the local moments in the undoped FeAs layer where Kondo effect coexists with the SDW. This scenario is also accounted for the change of the magnetoresistance from positive to negative in the Sr3Sc2O5Fe2As2 compound.",0901.2787v2 2009-02-21,Unconventional pairing originating from disconnected Fermi surfaces in the iron-based superconductor,"For the iron-based high $T_c$ superconductor LaFeAsO$_{1-x}$F$_x$, we construct a minimal model, where all of the five Fe $d$ bands turn out to be involved. We then investigate the origin of superconductivity with a five-band random-phase approximation by solving the Eliashberg equation. We conclude that the spin fluctuation modes arising from the nesting between the disconnected Fermi pockets realise, basically, an extended s-wave pairing, where the gap changes sign across the nesting vector.",0902.3691v1 2009-03-11,Pairing in the iron arsenides: a functional RG treatment,"We study the phase diagram of a microscopic model for the superconducting iron arsenides by means of a functional renormalization group. Our treatment establishes a connection between a strongly simplified two-patch model by Chubukov et al. and a five-band- analysis by Wang et al.. For a wide parameter range, the dominant pairing instability occurs in the extended s-wave channel. The results clearly show the relevance of pair scattering between electron and hole pockets. We also give arguments that the phase transition between the antiferromagnetic phase for the undoped system and the superconducting phase may be first order.",0903.1963v1 2009-03-22,Anomalous Magnetic Susceptibility in Iron Pnictides: Paramagnetic Phase,"Observation of an anomalous temperature dependence of the spin susceptibility, along with a spin gap in NMR, in the quantum paramagnetic normal state of Iron Pnictides is a signature of an unusual metallic state. We argue that both these anomalous features are associated with a wide fluctuational regime dominated by dynamical, short-ranged and frustrated spin correlations in a strongly correlated metal. Using LDA+DMFT, we show that both these features can be quantitatively undertstood in the doped Fe-pnictides. We argue that such spin correlations naturally arise in a Mottness scenario, where an effective, dualistic description involves coexisting renormalized quasiparticles and effectively localized moments, arising from the same set of d bands.",0903.3732v1 2009-03-24,Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6,"The results of the ab initio FLAPW-GGA calculations of the band structure of the newly synthesized tetragonal (space group P4/nmm) layered iron phosphide-oxide: 17K superconductor Sr4Sc2Fe2P2O6 are presented. For Sr4Sc2Fe2P2O6 the optimized structural data, the energy bands, total and partial densities of states, Fermi surface topology, low-temperature electron specific heat and molar Pauli paramagnetic susceptibility have been determined and discussed in comparison with hypothetical isostructural iron arsenide-oxide phase Sr4Sc2Fe2As2O6 and related layered FeAs and FeP superconductors.",0903.4038v1 2009-04-01,Electronic structure of Ti-doped Sr4Sc2Fe2As2O6,"First principle FLAPW-GGA calculations have been performed with the purpose to understand the electronic properties for the newly synthesized tetragonal (space group P4/nmm) layered iron arsenide-oxide: Sr4Sc2Fe2As2O6 doped with titanium. The total and partial densities of states, low-temperature electron specific heat and molar Pauli paramagnetic susceptibility have been obtained and discussed for Sr4ScTiFe2As2O6 in comparison with parent phase Sr4Sc2Fe2As2O6. Our results show that the insertion of Ti into Sc sublattice of iron arsenide-oxide phase Sr4Sc2Fe2As2O6 leads to principal change of its electronic structure; in result the insulating so-called ""charge reservoirs', i.e. perovskite-based [Sr4Sc2O6] blocks became conducting. This situation differs essentially from the known picture for all others Fe-As superconductors where the conducting [Fe2As2] blocks are separated by isolating blocks.",0904.0117v1 2009-04-07,Evidence for polarons in iron pnictides of the Ln-1111 and AE-122 families,"Examination of the electrical resistivities of iron pnictides shows that they can be accounted by conduction by polarons. Their activation energies show a linear behaviour with the critical temperatures of the spin density waves (SDW), T*, as both vary with pressure. The slope matches the ratio SDW gap to T*, while the intercept can be related to the transition temperature of the lattice distortion, T0. An adapted Landau free energy predicts the observed order of the transitions, according to which is higher, T* or T0. Simple arguments favour combined Jahn-Teller antiferromagnetic bipolarons.",0904.1173v1 2009-05-26,Analysis of transport properties of iron pnictides: spin-fluctuation scenario,"We present a phenomenological theory of quasiparticle scattering and transport relaxation in the normal state of iron pnictides based on the simplified two-band model coupled via spin fluctuations. In analogy with anomalous properties of cuprates it is shown that a large and anomalous normal-state resistivity and thermopower can be interpreted as the consequence of strong coupling to spin fluctuations. The generalization to the superconducting phase is also discussed.",0905.4153v2 2009-05-29,Tight-binding models for the new iron based superconductor materials,"The rich novel materials class of iron based superconductors turned out to exhibit a very complex electronic structure, despite of the simplicity of their crystal structures. For various approaches to study the instability against magnetic order or superconductivity, a real space description of the electronic structure is required. Here, the bonding situation and the orbital structure of the electronic state are analyzed and minimum tight-binding models quantitatively correctly describing the low-energy electronic structure are provided.",0905.4844v2 2009-07-01,The Stoichiometry of FeSe,"Tetragonal iron selenide, FeSe, the layered parent compound of the recently discovered superconducting arsenide family, has previously been shown to be non magnetic and superconducting with a critical temperature near 8 K. There has, however, been a lack of consensus as to whether selenium vacancies present due to large deviations from ideal stoichiometry are required to give rise to the superconductivity. Here we describe the results of experiments that demonstrate simply that superconducting iron selenide can only be synthesized as a pure material when near stoichiometric (i.e. FeSe). Significant selenium deficiency or excess gives rise to secondary magnetic phases, and a suppression of the superconductivity.",0907.0174v1 2009-09-07,Modeling Antiferromagnetic Phase in Iron Pnictides: Weakly Ordered State,"We examine electronic states of antiferromagnetic phase in iron pnictides by mean-field calculations of the optical conductivity. We find that a five-band model exhibiting a small magnetic moment, inconsistent with the first-principles calculations, reproduces well the excitation spectra characterized by a multi-peak structure emerging below the N\'{e}el temperature at low energy, together with an almost temperature-independent structure at high energy. Investigating the interlayer magnetoresistance for this model, we also predict its characteristic field dependence reflecting the Fermi surface.",0909.1081v2 2009-09-07,First-principles-based $\pm s$-wave modelling for iron-based superconductors:Studies for specific heat and nuclear magnetic relaxation rate,"In order to consistently explain controversial experimental results on superconducting states observed by different probes in typical iron-based superconductors, we construct a realistic multi-band $\pm s$-wave pairing model by combining the quasiclassical formalism with the first-principles calculation. The model successfully resolves the controversies in contrast to the fact that simplified models such as two-band $\pm s$-wave one fail to do. A key in the model is the existence of relatively small gaps which leads to material-dependent peculiarities.",0909.1195v1 2009-09-15,Bulk Superconductivity at 2.6 K in Undoped RbFe_2As_2,"The iron arsenide RbFe_2As_2 with the ThCr_2Si_2-type structure is found to be a bulk superconductor with T_c=2.6 K. The onset of diamagnetism was used to estimate the upper critical field H_c2(T), resulting in dH_c2/dT=-1.4 T/K and an extrapolated H_c2(0)=2.5 T. As a new representative of iron pnictide superconductors, superconducting RbFe_2As_2 contrasts with BaFe_2As_2, where the Fermi level is higher and a magnetic instability is observed. Thus, the solid solution series (Rb,Ba)Fe_2As_2 is a promising system to study the crossover from superconductivity to magnetism.",0909.2740v1 2009-11-16,Simple Real-Space Picture of Nodeless and Nodal s-wave Gap Functions in Iron Pnictide Superconductors,"We propose a simple way to parameterize the gap function in iron pnictides. The key idea is to use orbital representation, not band representation, and to assume real-space short-range pairing. Our parameterization reproduces fairly well the structure of gap function obtained in microscopic calculation. At the same time the present parameterization is simple enough to obtain an intuitive picture and to develop a phenomenological theory. We also discuss simplification of the treatment of the superconducting state.",0911.2959v2 2009-11-16,Nuclear Magnetic Relaxation Rate in Iron-Pnictide Superconductors,"Nuclear magnetic relaxation rate 1/T_1 in iron-pnictide superconductors is calculated using the gap function obtained in a microscopic calculation. Based on the obtained results, we discuss the issues such as the rapid decrease of 1/T_1 just below the transition temperature and the difference between nodeless and nodal s-wave gap functions. We also investigate the effect of Coulomb interaction on 1/T_1 in the random phase approximation and show its importance in interpreting the experimental results.",0911.2963v1 2009-12-09,FERO (Finding Extreme Relativistic Objects): relativistic Iron K alpha lines in type 1 AGN,"The observational evidence for AGN relativistic Iron lines is very much debated. To address this topic, the FERO project makes use of the largest sample of X-ray spectra of radio quiet Type 1 AGN available in the XMM-Newton archive. We perform a systematic fit of the individual sources using a full relativistic code. Results on the first part of the project are presented here.",0912.1889v1 2009-12-16,Anomalous normal-state properties of iron pnictides: phenomenological theory,"We employ the phenomenological theory of the quasiparticle relaxation based on the simplified two-band description and the spin-fluctuation induced interband coupling to analyze recent normal-state transport data in electron-doped iron pnictides, in particular the Ba(Fe_1-x Co_x)_2As_2 family. Temperature dependence of the resistivity, thermopower and the Hall constant are evaluated. It is shown that their anomalous behavior emerging from experiments can be consistently described within the same framework assuming also non-Fermi-liquid spin fluctuations.",0912.3122v2 2010-01-26,On spatial non-homogeneity in iron pnictides: formation of stripes,"The heterogeneous coexistence of antiferromagnetism (SDW) and superconductivity on a mesoscopic scale was observed in iron-pnictides in many recent experiments. We suggest and discuss the scenario in which the heterogeneity is caused by formation of domain walls inherent to the SDW state of pnictides at a proper doping or under applied pressure. Superconductivity would emerge from the modulated SDW structure. The phenomenon is akin to the FFLO-phase in superconductors.",1001.4641v2 2010-02-13,Spin and Charge Dynamics Ruled by Antiferromagnetic Order in Iron Pnictides,"We examine the spin and charge excitations in antiferromagnetic iron pnictides by mean-field calculations with a random phase approximation in a five-band itinerant model. The calculated excitation spectra reproduce well spin-wave dispersions observed in inelastic neutron scattering, with a realistic magnetic moment for CaFe$_2$As$_2$. A particle-hole gap is found to be crucial to obtain consistent results; we predict the spin wave in LaFeAsO disappears at a lower energy than in CaFe$_2$As$_2$. We analyze that the charge dynamics to make predictions for resonant inelastic x-ray scattering spectra.",1002.2701v2 2010-02-17,Evidence for an electron nematic phase transition in underdoped iron pnictide superconductors,"Electrical resistivity measurements of detwinned single crystals of the representative iron arsenide Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ reveal a dramatic in-plane anisotropy associated with the tetragonal-to-orthorhombic structural transition that precedes the onset of long-range antiferromagnetic order. These results indicate that the structural transition in this family of compounds is fundamentally electronic in origin.",1002.3364v2 2010-03-03,Relationship between Colours of Ochre from Roussillon and Content of Iron-Bearing Minerals,"Nine samples of ochre originating from the Sentier des Ocres near Roussillon, France, were studied with Mossbauer spectroscopy and Spectro-photo-colorimetry. The former yielded a quantitative phase analysis of iron containing minerals (goethite, hematite and kaolin), and the latter enabled determination of the CIE-L*a*b* colorimetric coefficients. Based on the results obtained it is shown that both a* and b* coordinates are responsible for the colour of the investigated ochres.",1003.0760v1 2010-03-10,Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors,"We study a four band model for iron-based superconductors within local density approximation + dynamical mean field theory (LDA+DMFT). This successfully reproduces the results of models which take As p degrees of freedom explicitly into account and has several physical advantages over the standard five d-band model. Our findings reveal that the new superconductors are more strongly correlated than their single-particle properties suggest. Two-particle correlation functions unveil the dichotomy between local and ordered magnetic moments in these systems, calling for further experiments to better resolve the short time scale spin dynamics.",1003.2162v1 2010-03-19,Gamma ray production in inelastic scattering of neutrons produced by cosmic muons in $^{56}$Fe,"We report on the study of the intensities of several gamma lines emitted after the inelastic scattering of neutrons in $^{56}$Fe. Neutrons were produced by cosmic muons passing the 20t massive iron cube placed at the Earth's surface and used as a passive shield for the HPGe detector. Relative intensities of detected gamma lines are compared with the results collected in the same iron shield by the use of $^{252}$Cf neutrons. Assessment against the published data from neutron scattering experiments at energies up to 14 MeV is also provided.",1003.3890v1 2010-05-06,Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors,"We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives good results for well studied correlated materials such as NiO. Applied to the recently discovered iron arsenide materials, it accounts for the noticeable correlation features observed in optics and photoemission while explaining the absence of visible satellites in X-ray absorption experiments and other high energy spectroscopies.",1005.0885v1 2010-06-11,Structural Features of Layered Iron Pnictide Oxides (Fe2As2)(Sr4M2O6),"Structural features of newly found perovskite-based iron pnictide oxide system have been systematically studied. Compared to REFePnO system, perovskite-based system tend to have lower Pn-Fe-Pn angle and higher pnictogen height owing to low electronegativity of alkaline earth metal and small repulsive force between pnictogen and oxygen atoms. As-Fe-As angles of (Fe2As2)(Sr4Cr2O6), (Fe2As2)(Sr4V2O6) and (Fe2Pn2)(Sr4MgTiO6) are close to ideal tetrahedron and those pnictogen heights of about 1.40 A are close to NdFeAsO with optimized carrier concentration. These structural features of this system may leads to realization of high Tc superconductivity.",1006.2351v1 2010-06-21,Phase Field Crystal Study of Symmetric Tilt Grain Boundaries of Iron,"We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen et al., Phys. Rev. B 80, 031602 (2009)]. The grain boundary free energies we obtain from the model are in good agreement with previous results from molecular dynamics simulations and experiments.",1006.5405v1 2010-06-28,Eliashberg Analysis of Optical Spectra Reveals Strong Coupling of Charge Carriers to Spin Fluctuations in Superconducting Iron Pnictides,"The temperature and frequency dependences of the optical conductivity of Co and Ni-doped BaFe2As2 are analyzed and the electron-boson spectral density a2F(w) extracted using Eliashberg's formalism. The characteristic energy of a large peak in the spectrum around 10 meV coincide with the resonance peak in the spin excitation spectra, giving compelling evidence that in iron-based superconductors spin fluctuations strongly couple to the charge carriers and mediate superconductivity. In addition the spectrum is found to evolve with temperature towards a less structured background at higher energies as in the spin susceptibility.",1006.5468v1 2010-07-15,The electronic instabilities of the Iron-based superconductors: a variational Monte-Carlo study,"We report the first variational Monte Carlo (VMC) study of the iron-based superconductors. We use realistic band structures, and the ordering instabilities/variational ansatzs are suggested by previous functional renormalization group calculations. We examine antiferromagnetism, superconducting pairing, normal state fermi surface distortion, and orbital order in the antiferromagnetic state.",1007.2643v4 2010-08-03,Rescaled potential for transition metal solutes in a-iron,"We present empirical potentials for dilute transition metal solutes in a-iron. It is in the Finnis-Sinclair form and is therefore suitable for billion atom molecular dynamics simulations. First principles calculation shows that there are clear trends across the transition metal series which enable us to relate the rescaling parameters to principal quantum number and number of d electrons. The potential has been developed using a rescaling technique to provide solute-iron and solute-solute interactions from an existing iron potential.",1008.0508v1 2010-08-17,Domain Walls in Normal and Superconducting States of Iron Pnictides,"The electronic and magnetic structures in the normal and superconducting states of iron pnictides are investigated by solving self-consistently the Bogoliubov-de Gennes equation. It is shown that strong electron correlations can induce domain walls, which separate regions with different spin density wave orders. At zero or low electron doping, $90^\circ$ domain walls are formed while anti-phase domain walls are produced at higher electron doping. On the domain walls, larger electron densities are always present. The results agree qualitatively with recent observations of scanning tunneling microscopy and superconducting quantum interference device microscopy.",1008.2981v1 2010-09-02,Toroidal Carbon Nanotubes with Encapsulated Atomic Metal Loops,"Toroidal carbon nanotubes can serve as hosts for encapsulated loops of atomic metal wires. Such composite structures have been analyzed using density functional theory for a semiconducting C$_{120}$ torus encapsulating chains of Fe, Au and Cu atoms. The sheathed metal necklaces form a zigzag structure and drops the HOMO/LUMO bandgap to less than 0.1 eV. The iron composite is ferromagnetic with a magnetic moment essentially the same as that of bcc iron. The azimuthal symmetry of these toroidal composites suggests that they may offer novel elecromagnetic properties not associated with straight, metal-encapsulated carbon nanotubes.",1009.0442v1 2010-09-20,Non-Fermi-Liquid-Like Behaviors and Superconductivity Driven by Orbital Fluctuations in Iron Pnictides: Analysis by Fluctuation-Exchange Approximation,"We study the five-orbital Hubbard-Holstein model for iron pnictides with small electron-phonon interaction due to Fe-ion Einstein oscillators. Using the fluctuation-exchange (FLEX) approximation, orbital fluctuations evolve inversely proportional to the temperature, and therefore the resistivity shows linear or convex T-dependence for wide range of temperatures. We also analyze the Eliashberg gap equation, and show that s-wave superconducting state without sign reversal (s_{++}-wave state) emerges when the orbital fluctuations dominate the spin fluctuations. When both fluctuations are comparable, their competition gives rise to a nodal s-wave state. The present study offers us a unified explanation for both the normal and superconducting states.",1009.3882v1 2010-09-29,Phase Separation and Chemical Inhomogeneity in the Iron Chalcogenide Superconductor Fe1+yTexSe1-x,"We report investigation on Fe1+yTexSe1-x single crystals by using scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). Both nonsuperconducting samples with excess iron and superconducting samples demonstrate nanoscale phase separation and chemical inhomogeneity of Te/Se content, which we attribute to a miscibility gap. The line scan EELS technique indicates ~20% or less fluctuation of Te concentration from the nominal compositions.",1009.6010v1 2010-12-02,"Comment on ""Violation of Anderson's Theorem for the sign-reversing s-wave state of Iron-Pnictide Superconductors"" by Onari et al., Phys. Rev. Lett. 103, 177001(2009)[1]","We pointed out that the main claim of Ref.[1] that the presence of the orbital degree of freedom is essential to describe the correct impurity effects for Iron-based superconductors is incorrect and demonstrated the equivalent results of Tc suppression due to impurities by both the band basis model and the orbital basis model.",1012.0414v1 2011-01-05,77Se NMR study of pairing symmetry and spin dynamics in KyFe2-xSe2,"We present a 77Se NMR study of the newly discovered iron selenide superconductor KyFe2-xSe2, in which Tc = 32 K. Below Tc, the Knight shift 77K drops sharply with temperature, providing strong evidence for singlet pairing. Above Tc, Korringa-type relaxation indicates Fermi-liquid behavior. Our experimental results set strict constraints on the nature of possible theories for the mechanism of high-Tc superconductivity in this iron selenide system.",1101.1017v2 2011-01-06,"Comment on ""Orbital Order, Structural Transition and Superconductivity in Iron Pnictides"" [arXiv:1010.0129] by Yanagi et al","In contrast to the claim by Yanagi et al. in Ref. [1], the development of orbital fluctuations at $q ~ 0$ due to the ""orthorhombic phonon"" is unable to explain the high-Tc superconductivity in iron pnictides. The reason is that the orthorhombic-phonon is acoustic with the energy $\omega_q \propto q$, although the authors in Ref. [1] treated it as optical phonon ($\omega_o=0.02 eV$) inconsistently.",1101.1157v3 2011-01-18,Temperature-dependent spin resonance energy in iron pnictides and multiband s\pm Eliashberg theory,"The phenomenology of iron-pnictides superconductors can be explained in the framework of a three bands s\pm wave Eliashberg theory with only two free parameters plus a feedback effect i.e. the effect of the condensate on the antiferromagnetic spin fluctuactions responsible of the superconductivity in these compounds. I have examined the experimental data of four materials: LaFeAsO1-xFx, SmFeAsO1-xFx, Ba1-xKxFe2As2, and Ba(FexCo1-x)2As2 and I have found that it is possible to reproduce the experimental critical temperature and gap values in a moderate strong-coupling regime: ltot about 1.7-2.0.",1101.3473v2 2011-02-18,Maximizing Fermi surface multiplicity optimizes superconductivity in iron pnictides,"We study the condition for optimizing superconductivity in the iron pnictides from the lattice structure point of view. Studying the band structure of the hypothetical lattice structure of LaFeAsO, the hole Fermi surface multiplicity is found to be maximized around the Fe-As-Fe bond angle regime where the arsenic atoms form a regular tetrahedron. Superconductivity is optimized within this three hole Fermi surface regime, while the stoner factor of the antiferromagnetism has an overall tendency of increasing upon decreasing the bond angle. Combining also the effect of the varying the Fe-As bond length, we provide a guiding principle for obtaining high $T_c$.",1102.3765v1 2011-03-10,From density functional theory to the functional renormalization group: superconductivity in the iron pnictide LiFeAs,"A combined density functional theory and functional renormalization group method is introduced which takes into account orbital-dependent interaction parameters to derive the effective low-energy theory of weakly to intermediately correlated Fermi systems. As an application, the competing fluctuations in LiFeAs are investigated, which is the main representative of the 111 class of iron pnictides displaying no magnetic order, but superconductivity, for the parent compound. The superconducting order parameter is found to be of s+- type driven by collinear antiferromagnetic fluctuations. They eventually exceed the ferromagnetic fluctuations stemming from the small hole pocket at the Gamma point, as the system flows to low energies.",1103.2101v1 2011-04-07,Detection of melting by in-situ observation of spherical-drop formation in laser-heated diamond-anvil cells,"A simple method for detection of melting event in laser-heated diamond anvil cells (DACs) is introduced. The melting is registered optically by the formation of spherical drops of the investigated material as heated in an inert pressure transmitting medium. Feasibility of the method is demonstrated on the examples of metal (iron and gold) and iron oxide (Fe2O3), materials molten at pressures over 40 GPa employing a portable laser heating system.",1104.1304v1 2011-04-26,Specific heat jump at superconducting transition in the presence of Spin-Density-Wave in iron-pnictides,"We analyze the magnitude of the specific heat jump \Delta C at the superconducting transition temperature T_c in the situation when superconductivity develops in the pre-existing antiferromagnetic phase. We show that \Delta C/T_c differs from the BCS value and is peaked at the tri-critical point where this coexistence phase first emerges. Deeper in the magnetic phase, the onset of coexistence, T_c, drops and \Delta C/T_c decreases, roughly as \Delta C/T_c \propto T^2_c at intermediate T_c and exponentially at the lowest T_c, in agreement with the observed behavior of \Delta C/T_c in iron-based superconductors.",1104.5037v1 2011-04-28,Spin and Orbital Characters of Excitations in Iron Arsenide Superconductors Revealed by Simulated Fe L-Edge RIXS,"We theoretically examine the orbital excitations coupled to the spin degree of freedom in the parent state of the iron-arsenide superconductor, based on the calculation in a five-band itinerant model. The calculated Fe $L_3$-edge resonant inelastic x-ray scattering (RIXS) spectra disclose the presence of spin-flip excitations involving several specific orbitals. Magnon excitations predominantly composed of a single orbital component can be seen in experiments, although its spectral weight is smaller than spin-flipped interorbital high-energy excitations. The detailed polarization and momentum dependence is also discussed with predictions for the experiments.",1104.5424v2 2011-05-10,Consistent picture for the electronic structure around a vortex core in iron-based superconductors,"Based on a two-orbital model and taking into account the presence of the impurity, we studied theoretically the electronic structure in the vortex core of the iron-Pnictide superconducting materials. The vortex is pinned when the impurity is close to the vortex core. The bound states shows up for the unpinned vortex and are wiped out by a impurity. Our results are in good agreement with recent experiments and present a consistent explanation for the different electronic structure of vortex core revealed by experiments on different materials.",1105.1851v1 2011-05-19,Differential conductance of point contacts between an iron-based superconductor and a normal metal,"We present a theoretical description of the differential conductance of point contacts between a normal metal and a multi-band superconductor with extended s\pm pairing symmetry. We demonstrate that the interband impurity scattering broadens the coherent peak near the superconducting gap and significantly reduces its height even at relatively low scattering rates. This broadening is consistent with a number of recent experiments performed for both tunnel junctions and larger diffusive contacts. Our theory helps to better evaluate the energy gap of iron-based superconductors from point contact Andreev spectroscopy measurements.",1105.3926v2 2011-05-26,Orbital-spin ordering in the striped antiferromagnetic state of iron-based superconductors,"The magnetic properties of iron-arsenides are investigated using the LSDA+U approach. In addition to one high moment state, we find that a positive U also produces two low moment states with m~0.4 $\mu_{B}$ and m~1.0 $\mu_{B}$. The electronic structures indicate that the low moment states originate in the strong orbital hybridization between antiferromagnetic Fe neighbors. Therefore, the geometry of the FeAs4 tetrahedron is crucial to the low moment states, which is the key to understand the negative pressure coefficient of Tc in LiFeAs. Finally, our theory suggests that the superconducting phase is an orbital-spin ordered state, where the orbital spin-moments cancel each other.",1105.5412v1 2011-06-12,Anomalies in the Multicritical Behavior of Staggered Magnetic and Direct Magnetic Susceptibilities of Iron Group Dihalides,"In this study, the temperature dependencies of magnetic response functions of the anhydrous dihalides of iron-group elements are examined in the neighborhood of multi-critical points (tricritical, critical end point, double critical end point) and first order transition temperatures within molecular field approximation. Our findings reveal the fact that metamagnetic Ising system exhibits anomalies in the temperature dependence of the magnetic response functions for r<0.3. In addition, we extensively investigated how an inter- and intra-layer exchange interaction ratio can influence magnetic response properties of these systems. Finally, a comparison is made with related works.",1106.2308v1 2011-06-22,Magnetic excitations in iron pnictides,"Spin wave dispersion and damping are investigated in the metallic SDW state of different itinerant electron models including a small interlayer hopping. Magnetic excitations in iron pnictides are shown to be well understood in terms of physical mechanisms characteristic of metallic magnets, such as carrier-induced ferromagnetic spin couplings, intra-band particle-hole excitations, and the spin-charge coupling mechanism, which is also important in ferromagnetic manganites.",1106.4421v1 2011-07-04,"Reply to Comment on ""Neutron-Inelastic-Scattering Peak by Dissipationless Mechanism in the $s_{++}$-wave State in Iron-based Superconductors"" [arXiv:1106.2376] by Y. Nagai and K. Kuroki","This article is a reply to the comment by Nagai and Kuroki [arXiv:1106.2376] for our unpublished paper in arXiv [arXiv:1105.6233]. Contrary to their claim, we certainly obtain a large hump structure at $q=(\pi,0)$ in the $s_{++}$-wave state in iron pnictides due to the ``dissipationless mechanism'', even when similar parameters used by Nagai and Kuroki are employed.",1107.0748v1 2011-11-15,First principles study of iron-based molecule grafted on graphene,"Motivated by recent experimental studies on single molecular magnets grafted on graphene and single walled carbon nanotubes, we investigate the structural, electronic, and magnetic properties of an iron based magnetic molecule grafted on a graphene sheet using \textit{ab initio} calculations. In particular, the induced charge transfer and magnetization are described in terms of the coupling between the molecule and the graphene orbitals. This interaction and its effects on graphene electronic properties are determined and discussed in view of the potential utilization of graphene in spintronics.",1111.3516v1 2011-11-30,Electronic and Magnetic Structure of Possible Iron Based Superconductor BaFe2Se3,"We present results of LDA calculations (band structure, densities of states, Fermi surfaces) for possible iron based superconductor BaFe2Se3 (Ba123) in normal (paramagnetic) phase. Results are briefly compared with similar data on prototype BaFe2As2 and (K,Cs)Fe2Se2 superconductors. Without doping this system is antiferromagnetic with T_N^{exp}~250K and rather complicated magnetic structure. Neutron diffraction experiments indicated the possibility of two possible spin structures (antiferromagnetically ordered ""plaquettes"" or ""zigzags""), indistinguishable by neutron scattering. Using LSDA calculated exchange parameters we estimate Neel temperatures for both spin structures within the molecular field approximation and show \tau_1 (""plaquettes"") spin configuration to be more favorable than \tau_2 (""zigzags"").",1111.7046v1 2011-12-20,Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors,"We predict that iron-based superconductors discovered near d6 configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d5 (namely, half filling). This is based on the many-variable variational Monte-Carlo results for ab initio low-energy models derived by the downfolding. The d5 Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics and Hund's-rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.",1112.4682v1 2011-12-21,Dislocation core field. II. Screw dislocation in iron,"The dislocation core field, which comes in addition to the Volterra elastic field, is studied for the <111> screw dislocation in alpha-iron. This core field, evidenced and characterized using ab initio calculations, corresponds to a biaxial dilatation, which we modeled within the anisotropic linear elasticity. We show that this core field needs to be considered when extracting quantitative information from atomistic simulations, such as dislocation core energies. Finally, we look at how dislocation properties are modified by this core field, by studying the interaction between two dislocations composing a dipole, as well as the interaction of a screw dislocation with a carbon atom.",1112.4936v1 2011-12-31,Brief review on iron-based superconductors: are there clues for unconventional superconductivity?,"Study of superconductivity in layered iron-based materials was initiated in 2006 by Hosono's group, and boosted in 2008 by the superconducting transition temperature, Tc, of 26 K in LaFeAsO1-xFx. Since then, enormous researches have been done on the materials, with Tc reaching as high as 55 K. Here, we review briefly experimental and theoretical results on atomic and electronic structures and magnetic and superconducting properties of FeAs-based superconductors and related compounds. We seek for clues for unconventional superconductivity in the materials.",1201.0237v1 2012-01-26,Effect of uniaxial pressure on the magneto-structural transitions of iron arsenide superconductors,"We study theoretically the variation of the magnetic and the structural transition temperatures of the iron arsenide superconductors with external uniaxial stress. We show that the increase of the transition temperatures reported in recent experiments is compatible with a simple magneto-elastic model in which the physical origin of this variation is linked to the fact that antiferromagnetic bonds are longer than the ferromagnetic ones in the magnetic phase. We make predictions which can be verified in order to test the relevance of this model.",1201.5594v2 2012-03-05,Iron-platinum-arsenide superconductors Ca10(PtnAs8)(Fe2-xPtxAs2)5,"An overview of the crystal structures and physical properties of the recently discovered iron-platinum-arsenide superconductors, Ca10(PtnAs8)(Fe2-xPtxAs2)5 (n = 3 and 4), which have a superconducting transition temperature up to 38 K, is provided. The crystal structure consists of superconducting Fe2As2 layers alternating with platinum-arsenic layers, PtnAs8. The upper critical field Hc2, hydrostatic pressure dependence of superconducting transition temperature Tc, and normal-state magnetic susceptibility are reported.",1203.0821v1 2012-03-15,Divergent nematic susceptibility in an iron arsenide superconductor,"Within the Landau paradigm of continuous phase transitions, ordered states of matter are characterized by a broken symmetry. Although the broken symmetry is usually evident, determining the driving force behind the phase transition is often a more subtle matter due to coupling between otherwise distinct order parameters. In this paper we show how measurement of the divergent nematic susceptibility of an iron pnictide superconductor unambiguously distinguishes an electronic nematic phase transition from a simple ferroelastic distortion. These measurements also reveal an electronic nematic quantum phase transition at the composition with optimal superconducting transition temperature.",1203.3239v1 2012-04-07,Rotationally-Invariant Exchange Interaction: The Case of Paramagnetic Iron,"We present a generalization of the spin-fluctuation theory of magnetism which allows us to treat the full rotational invariance of the exchange interaction. The approach is formulated in terms of the local density approximation plus dynamical mean-field theory (LDA+DMFT), providing a systematic many-body treatment of the effect of spin-density fluctuations. This technique is employed to study the electronic and magnetic properties of paramagnetic $\alpha$ iron. Our result for the Curie temperature is in good agreement with experiment, while the calculations with the Ising-type exchange interaction yield almost twice overestimated value.",1204.1636v1 2012-05-29,Ab initio study of helium and hydrogen interactions in $α$-Fe,"Density Functional Theory (DFT) calculations show a weak interaction between hydrogen and helium in iron, in contrast to previous reports of a strong trapping of hydrogen at helium. The strong preference of He and H to occupy regions with low electronic density (such as vacancies) explains this discrepancy, with vacancy-He and vacancy-H binding forces concealing the repulsive interaction between He and H. Furthermore, Rate Theory simulations based on our DFT-calculated V$_n$He$_m$H$_p$ cluster energetics predict, as it is observed in some experiments, that synergetic effects could be expected between H and He in iron under irradiation.",1205.6374v2 2012-05-30,"Multiple Superconducting Gaps, Anisotropic Spin Fluctuations and Spin-Orbit Coupling in Iron-Pnictides","This article reviews the NMR and NQR studies on iron-based high-temperature superconductors by the IOP/Okayama group. It was found that the electron pairs in the superconducting state are in the spin-singlet state with multiple fully-opened energy gaps. The antiferromagnetic spin fluctuations in the normal state are found to be closely correlated with the superconductivity. Also the antiferromagnetic spin fluctuations are anisotropic in the spin space, which is different from the case in copper oxide superconductors. This anisotropy originates from the spin-orbit coupling and is an important reflection of the multiple-bands nature of this new class of superconductors.",1205.6589v1 2012-06-11,Chemical Bonds and Spin State Splittings in Spin Crossover Complexes. A DFT and QTAIM Analysis,"Density functional theory (DFT) calculations have been performed for the high-spin (HS) and low-spin (LS) isomers of a series of iron(II) spin crossover complexes with nitrogen ligands. The calculated charge densities have been analyzed in the framework of the quantum theory of atoms in molecules (QTAIM). For a number of iron(II) complexes with substituted tris(pyrazolyl) ligands the energy difference between HS and LS isomers, the spin state splitting, has been decomposed into atomic contributions in order to rationalize changes of the spin state splitting due to substituent effects.",1206.2136v1 2012-06-13,Nuclear Resonance Vibrational Spectroscopy of Iron Sulfur Proteins,"Nuclear inelastic scattering in conjunction with density functional theory (DFT) calculations has been applied for the identification of vibrational modes of the high-spin ferric and the high-spin ferrous iron-sulfur center of a rubredoxin-type protein from the thermophylic bacterium Pyrococcus abysii.",1206.2788v1 2012-10-26,Finite-size effect of antiferromagnetic transition and electronic structure in LiFePO4,"The finite-size effect on the antiferromagnetic (AF) transition and electronic configuration of iron has been observed in LiFePO4. Determination of the scaling behavior of the AF transition temperature (TN) versus the particle-size dimension (L) in the critical regime 1-TN(L)/TN(XTL)\simL^-1 reveals that the activation nature of the AF ordering strongly depends on the surface energy. In addition, the effective magnetic moment that reflects the electronic configuration of iron in LiFePO4 is found to be sensitive to the particle size. An alternative structural view based on the polyatomic ion groups of (PO4)3- is proposed.",1210.7167v1 2012-12-07,Molecular Dynamics and OKMC Study of Radiation Induced Motion of Voids and He Bubbles in BCC Iron,"We show that voids adjacent to radiation damage cascades can be moved in their entirety by several lattice spacings. This is done using molecular dynamics cascade simulations in iron at energies of 1-5 keV. The effect of this mechanism is studied further using an OKMC code and shows enhancement of void diffusion by 2 orders of magnitude from 1x10^-22 cm^2/s to 3x10^-20 cm^2/s. Repeating the study on He bubbles shows that the movement is damped by the presence of helium in the void.",1212.1652v2 2012-12-13,Consequence of total lepton number violation in strongly magnetized iron white dwarfs,"The influence of neutrinoless electron to positron conversion on cooling of strongly magnetized iron white dwarfs is studied. It is shown that they can be good candidates for soft gamma-ray repeaters and anomalous X-ray pulsars.",1212.3155v4 2013-01-08,Mechanism for the α -> ε phase transition in iron,"The mechanism of the {\alpha}-{\epsilon} transition in iron is reconsidered. A path in the Burgers description of the bcc/hcp transition different from those previously considered is proposed. It relies on the assumption that shear and shuffle are decoupled and requires some peculiar magnetic order, different from that of {\alpha} and {\epsilon} phases as found in Density-Functional Theory. Finally, we put forward an original mechanism for this transition, based on successive shuffle motion of layers, which is akin to a nucleation-propagation process rather than to some uniform motion.",1301.1623v1 2013-03-06,Mixed-State Effect on the Low-Energy Spin Dynamics in Optimally-doped Iron Pnictide Superconductors,"Based on a phenomenological model with $s_{\pm}$ or s-wave pairing symmetry, the mixed-state effect on the low-energy spin dynamics in optimally-doped iron pnictide superconductors is studied by solving Bogoliubov-de Gennes equations. Our results of the spin susceptibility at $\mathbf{q}=\mathbf{Q}$ in the normal, superconducting and mixed states agree qualitatively with recent neutron scattering experiments. We also propose that the field-induced intensity change shows different behaviors between the $s_{\pm}$ and s-wave symmetries in both momentum and real space, thus it can be used to distinguish these two pairing symmetries.",1303.1557v1 2013-03-15,van der Waals interaction in iron-chalcogenide superconductors,"We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) superconductor compounds, namely FeSe and FeTe. We show how generalized gradient approximation (GGA) for the exchange correlation potential overestimates the out-of-plane lattice constants in both compounds when compared with experiments. In addition, GGA predicts a too weak bonding between the neutral FeCh layers, with a sensible underestimation of the bulk modulus. van der Waals corrected simulations completely solve both problems, reconciling theoretical results with experiments. These findings must be considered when dealing with theoretical predictions in FeCh compounds.",1303.3747v2 2013-03-25,To the interpretation of the upturn observed by ATIC in heavy nuclei to iron ratios,"It is argued that the upturn observed in heavy nuclei to iron ratios as measured in the ATIC experiment could be understood within the model of closed galaxy with embedded local regions containing the sources of CR (Peters, Westergaard, 1977). The universal upturn near the energies of 200-300 GeV/n in the spectra of abundant primary nuclei is also predicted by this model, but it also predicts the source spectral index to be near 2.5.",1303.6102v1 2013-04-29,Bulk Synthesis of Iron-based Superconductors,"Exploratory synthesis efforts for iron-based superconductors (FeSC) have been driven by hopes of improving superconducting critical temperatures (TCs), providing high-quality samples for in-depth studies of intrinsic properties, and exploring potential superconductivity in similar families of materials. This manuscript summarizes the synthesis routes that are used for producing FeSC and their undoped parents, in single crystal and polycrystalline forms. A few of the materials challenges are summarized.",1304.7708v1 2013-05-03,"Fermiology, Orbital Order, Orbital Fluctuation and Cooper Pairing in Iron-based Superconductors","We address two important issues that arise in recent studies of iron-based superconductivity. (1) Why are the T_c of A_xFe_{2-y}Se_2 and the single unit cell FeSe on SrTiO$_3$ so high despite both only have electron pockets? (2) What (if any) are the effects of orbital order and orbital fluctuation on the Cooper pairing. Our conclusions are summarized in the third paragraph of the paper.",1305.0605v3 2013-05-08,Topological Surface States in Paramagnetic and Antiferromagnetic Iron Pnictides,"The electronic structure of iron pnictides is topologically nontrivial, leading to the appearance of Dirac cones in the band structure for the antiferromagnetic phase. Motivated by the analogy with Dirac cones in graphene, we explore the possible existence of topologically protected surface states. Surprisingly, bands of surface states exist even in the paramagnetic state. A realistic five-orbital model predicts two such bands. In the antiferromagnetic phase, these surface bands survive but split. We obtain the bulk and surface dispersion from exact diagonalization of two- and five-orbital models in a strip geometry and discuss the results based on topology.",1305.1770v2 2013-05-15,Nematic susceptibility of hole- and electron-doped BaFe2As2 iron-based superconductors from shear modulus measurements,"The nematic susceptibility of hole-doped Ba1-xKxFe2As2 and electron-doped Ba(Fe1-xCox)2As2 iron-based superconductors is obtained from measurements of the elastic shear modulus using a three-point bending setup in a capacitance dilatometer. Nematic fluctuations, although weakened by doping, extend over the whole superconducting dome in both systems, suggesting their close tie to superconductivity. Evidence for quantum critical behavior of the nematic susceptibility is, surprisingly, only found for Ba(Fe1-xCox)2As2, the system with the lower maximal Tc value.",1305.3515v2 2013-07-04,Unusual band renormalization in the simplest iron based superconductor,"The electronic structure of the iron chalcogenide superconductor FeSe_{1-x} was investigated by high- resolution angle-resolved photoemission spectroscopy (ARPES). The results were compared to DFT calculations showing some significant differences between the experimental electronic structure of FeSe_{1-x}, DFT calculations and existing data on FeSe_{x}Te_{1-x}. The bands undergo a pronounced orbital dependent renormalization, different from what was observed for FeSe_{x}Te_{1-x} and any other pnictides.",1307.1280v1 2013-09-25,Superconductivity in 1111-type CaFeAsF1-xHx induced by selective hydrogen elimination,"The difference in thermal stability of F- and H- in 1111-type iron based superconductors, allows selective hydrogen elimination from non-superconductive CaFeAsF0.8H0.2 by thermal annealing. The analyzed chemical composition of the resulting samples indicates that incorporated hydrogen was selectively eliminated by thermal annealing at 553 K for 72 hours. The resulting hydrogen-eliminated sample shows bulk superconductivity with Tc = 29 K. This technique may be used for indirect electron doping for AeFeAeF (Ae; alkali-earth metal) iron based superconductor described by CaFeAsF1-xHx => CaFeAsF1-x + xe- + 1/2xH2.",1309.6398v2 2013-10-03,Raman scattering as a probe of charge nematic fluctuations in iron based superconductors,"We report Raman scattering measurement of charge nematic fluctuations in the tetragonal phase of BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ (x=0.04) single crystals. In both systems, the observed nematic fluctuations are found to exhibit divergent Curie-Weiss like behavior with very similar characteristic temperature scales, indicating a universal tendency towards charge nematic order in 122 iron-based superconductors.",1310.0934v2 2013-12-17,Nesting Induced Large Magnetoelasticity in the Iron Arsenide Systems,"A novel feature of the iron arsenides is the magnetoelastic coupling between the long wavelength in-plane strains of the lattice and the collective spin fluctuations of the electrons near the magnetic ordering wavevectors. Here, we study its microscopic origin from an electronic model with nested Fermi pockets and a nominal interaction. We find the couplings diverge with a power-law as the system is tuned to perfect nesting. Furthermore, the theory reveals how nematicity is boosted by nesting. These results are relevant for other systems with nesting driven density wave transitions.",1312.4968v3 2014-01-15,X-ray absorption spectroscopy characterization of iron-oxide nanoparticles synthesized by high temperature plasma processing,"Iron-oxide nanoparticles have been synthesized by high temperature arc plasma route with different plasma currents and characterized for their structure, morphology and local atomic order. Fe K-edge x-ray absorption spectra reveal distinct local structure of the samples grown with different plasma currents. We have shown that the local disorder is higher for the higher plasma current grown samples that also have a larger average particle-size. The results provide useful information to control structural and morphological properties of nanoparticles grown by high temperature plasma synthesis process.",1401.3655v1 2014-01-17,Globular clusters: a chemical roadmap between anomalies and homogeneity,"For several decades, globular clusters have been considered the best example of simple stellar populations, hosting coeval and chemical homogeneous stars. The last decade of spectroscopic and photometric studies has revealed a more complex view of their chemical composition, with a high level of homogeneity in their iron content but star-to-star variations in some light elements. This contribution summarizes the main evidence about the chemical anomalies in the stellar content of the globular clusters, discussing also some peculiar objects with intrinsic dispersions in their iron content.",1401.4323v1 2014-03-25,Functional Renormalization Group Analysis of $η$-Pairing in Iron-based Superconductors,"Using functional renormalization group (FRG) approach, we analyze the $\eta$ pairing in a five d-orbital model for iron-pncitides. We find that the $\eta$ pairing between two hole pockets is a leading instability at low energy when the two hole pockets are close to a nesting condition. The result suggests that the system can spontaneously enter into a superconducting state with both normal pairing and $\eta$ paring and the $\eta$ pairing is driven by the inter-orbital antiferromagnetic exchange coupling while the normal pairing is driven by the intra-orbital antiferromagnetic ones. An effective model at low energy is proposed to account for the $\eta$ pairing instability.",1403.6240v1 2014-03-31,Evaluation of the Debye temperature for iron cores in human liver ferritin and its pharmaceutical analogue Ferrum Lek using Mossbauer spectroscopy,"An iron polymaltose complex Ferrum Lek used as antianemic drug and considered as a ferritin analogue and human liver ferritin were investigated in the temperature range from 295K to 90K by means of 57Fe Mossbauer spectroscopy with a high velocity resolution i.e. in 4096 channels. The Debye temperatures equal to 502K for Ferrum Lek and to 461K for human liver ferritin were determined from the temperature dependence of the center shift obtained using two different fitting procedures.",1403.7900v1 2014-09-17,"Electronic structure, spin excitations, and orbital ordering in a three-orbital model for iron pnictides","A three-orbital itinerant-electron model involving d_{xz}, d_{yz} and d_{xy} Fe 3d orbitals is proposed for iron pnictides towards understanding the (\pi,0) ordered magnetism and magnetic excitations in these materials. It is shown that this model at half filling yields a gapped (\pi,0) magnetic state with high degree of robustness and stability, and simultaneously reproduces several experimentally observed features such as the electronic structure, spin excitations, as well as the ferro orbital order between the d_{xz} and d_{yz} orbitals.",1409.4984v2 2014-10-18,Structural and magnetic characterisation of iron oxyselenides Ce2O2Fe2OSe2 and Nd2O2Fe2OSe2,"We present here an investigation of the magnetic ordering in the Mott insulating oxyselenide materials Ln2O2Fe2OSe2 (Ln = Ce, Nd). Neutron powder diffraction data are consistent with a non-collinear multi-k ordering on the iron sublattice structure and analysis indicates a reduced magnetic correlation length perpendicular to the [Fe2O]2+ layers. The magnetic role of the Ln3+ cations is investigated and Ce3+ moments are found to order for T < 16 K.",1410.4990v1 2014-11-21,Spontaneous appearance of nonzero momentum Cooper pairing: Possible application to the iron-pnictides,"We suggest that an inhomogeneous (non-zero momentum) paired phase can appear in the absence of an external magnetic field in the system with a predominant interband pairing and with separate Fermi-surface sheets. The Fermi wave vector mismatch which appears in such situation can be compensated by nonzero center-of-mass momentum of the Cooper pairs, what can lead to a spontaneous appearance of the Fulde-Ferrell type of superconducting state. The idea is examined using a tight-binding model which emulates the hole-like and the electron-like bands of iron based superconductor. The state can appear for the case of both spin-singlet and -triplet pairing channels.",1411.5882v1 2015-01-28,Synthesis of endohedral iron-fullerenes by ion implantation,"In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe+ ion beam was irradiated to C60 thin film by using a deceleration system. Fe+-irradiated C60 thin film was analyzed by high performance liquid chromatography and laser desorption/ionization time-of-flight mass spectrometry. We investigated the performance of the deceleration system for using a Fe+ beam with low energy. In addition, we attempted to isolate the synthesized material from a Fe+-irradiated C60 thin film by high performance liquid chromatography.",1501.07022v1 2015-06-30,Orbital-selective electronic excitations in iron arsenides revealed by simulated nonresonant inelastic x-ray scattering,"Nonresonant inelastic x-ray scattering (NIXS) is a possible tool to detect charge excitations in electron systems. In addition, multipole transitions at high-momentum-transfer region open a new possibility to determine orbital-selective electronic excitations in multi-orbital itinerant 3d electron systems. As a theoretical example, we chose the antiferromagnetic state of iron arsenides and demonstrate that the orbital-selective excitations are detectable by choosing appropriate momentum transfer in NIXS. We propose that both NIXS and resonant inelastic x-ray scattering are complementary to each other for fully understanding the nature of orbital excitations in multi-orbital itinerant electron systems.",1506.08972v1 2015-07-05,Magneto-orbital coupling in iron pnictides,"A magneto-orbital coupling mechanism is proposed to account for the weak energy gap at the Fermi energy in the $(\pi,0)$ ordered SDW state of a realistic three band model for iron pnictides involving $d_{xz}$, $d_{yz}$, and $d_{xy}$ Fe orbitals. The orbital mixing terms between the $d_{xy}$ and $d_{xz}/d_{yz}$ orbitals, which are important in reproducing the orbital composition of the elliptical electron pockets at $(\pm \pi,0)$ and $(0,\pm \pi)$, are shown to play a key role in the energy gap formation in the SDW state.",1507.01189v1 2015-08-11,Multiple phase transitions in Pauli limited iron-based superconductors,"Specific heat measurements have been successfully used to probe unconventional superconducting phases in one-band heavy-fermion and organic superconductors. We extend the method to study successive phase transitions in multi-band materials such as iron based superconductors. The signatures are multiple peaks in the specific heat, at low temperatures and high magnetic field, which can lead the experimental verification of unconventional superconducting states with non-zero total momentum.",1508.02740v2 2015-09-16,"Structural transition and superconductivity in hydrothermally synthesized FeX (X = S, Se)","Tetragonal beta-FeSe obtained by hydrothermal reaction is not superconducting and transforms to a triclinic structure at 60 K unlike superconducting FeSe from solid state synthesis, which becomes orthorhombic at 90 K. In contrast, tetragonal iron sulphide FeS from hydrothermal synthesis is superconducting at 4.8 K but undergoes no structural transition. Our results suggest that the absence of superconductivity in hydrothermally synthesized FeSe may be associated to the low-temperature structure with zigzag chains of iron atoms, which is different from the known orthorhombic Cmme structure of superconducting FeSe.",1509.04851v1 2015-11-21,Ironing in the Dark,"This paper presents the first polynomial-time algorithm for position and matroid auction environments that learns, from samples from an unknown bounded valuation distribution, an auction with expected revenue arbitrarily close to the maximum possible. In contrast to most previous work, our results apply to arbitrary (not necessarily regular) distributions and the strongest possible benchmark, the Myerson-optimal auction. Learning a near-optimal auction for an irregular distribution is technically challenging because it requires learning the appropriate ""ironed intervals,"" a delicate global property of the distribution.",1511.06918v1 2015-11-24,Testing the no-hair theorem with the continuum-fitting and the iron line methods: a short review,"The continuum-fitting and the iron line methods are leading techniques capable of probing the spacetime geometry around astrophysical black hole candidates and testing the no-hair theorem. In the present paper, we review the two approaches, from the astrophysical models and their assumptions, to the constraining power with present and future facilities.",1511.07587v2 2016-05-06,Investigation of magnetic phases in parent compounds of Iron-chalcogenides via quasiparticle scattering interference,"We employ a five-orbital tight-binding model to develop the mean field solution for various possible spin density wave states in the iron-chalcogenides. The quasiparticle interference (QPI) technique is applied to detect signatures of these states due to scatterings arising from non-magnetic impurities. Apart from the experimentally observed double striped structure with ordering vector $(\pi/2,\pi/2)$, the QPI method is investigated for the extended-stripe as well as the orthogonal double stripe phase. We discuss QPI as a possible tool to detect and classify various magnetic structures with different electronic structure reconstruction within framework of the Fe$_{1+y}$Te compound.",1605.01798v1 2016-05-11,Vibrational and thermoelastic properties of bcc iron from selected EAM potentials,"A comprehensive, critical study of the vibrational, thermodynamic and thermoelastic properties of bcc iron is presented, using well established semi-empirical embedded-atom method potentials available in the literature. Classical molecular dynamics simulations are used to address temperature effects, where dynamical matrices are constructed as a time average of the second moment of the atomic displacements. The $C_{11}, C_{44}, C'$ elastic constants are then obtained from the sound velocities along high symmetry directions in reciprocal space. Results are compared to ultrasonic measurements and highlight the limitations of the potentials considered here in describing thermoelastic properties.",1605.03334v2 2016-07-25,Evidences of Mott physics in iron pnictides from x-ray spectroscopy,"X-ray emission and absorption spectroscopies are jointly used as fast probes to determine the evolution as a function of doping of the fluctuating local magnetic moments in K- and Cr- hole-doped BaFe2As2. An increase in the local moment with hole-doping is found, supporting the theoretical scenario in which a Mott insulating state that would be realized for half-filled conduction bands has an influence throughout the phase diagram of these iron-pnictides.",1607.07417v1 2016-12-21,Unconventional superconductors: Iron-based diversity,"Nine years ago, superconductors based on the magnetic element iron were discovered. A flurry of research activity has revealed an unprecedented diversity of chemical structures and physical properties. Similarly to other unconventional superconductors, stripe-type antiferromagnetism seems to play an important role. Particularly interesting is its strong coupling to the crystal lattice. The systematic comparison of different compounds may allow to identify key elements in the mechanism of superconductivity and provide guidelines for the search for new and better superconductors.",1612.07356v1 2017-03-09,Spin-wave excitations in the SDW state of iron pnictides: a comparison between the roles of interaction parameters,"We investigate the role of Hund's coupling in the spin-wave excitations of the ($\pi, 0$) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb interaction and Hund's coupling, we focus on the self-consistently obtained mean-field SDW state with a fixed magnetic moment obtained by using different sets of interaction parameters. We find that the Hund's coupling is crucial for the description of various experimentally observed characteristics of the spin-wave excitations including the anisotropy, energy-dependent behavior, and spin-wave spectral weight distribution.",1703.03228v2 2017-04-13,Roles of anisotropic and unequal gaps in the quasiparticle interference of superconducting iron pnictides,"We investigate the role of gap characteristics such as anisotropy and inequality of the gaps in the quasiparticle interferences of iron pnictides using a five-orbital tight-binding model. We examine how the difference in the sensitivities exhibited by the sign-changing and -preserving $s$-wave superconductivity in an annular region around ($\pi, 0$), which can be used to determine the sign change of the superconducting gap, gets affected when the gaps are unequal on the electron and hole pocket. In addition, we also discuss how robust these differentiating features are on changing the quasiparticle energy or when the gap is anisotropic.",1704.04069v1 2017-04-18,Tilting the balance towards d-wave in iron-based superconductors,"The intricate interplay of interactions and Fermiology can give rise to a close competition between nodeless (e.g. s-wave) and nodal (e.g. d-wave) order in electronically driven unconventional superconductors. We analyze how such a scenario is affected by a Zeeman magnetic field $H_{\text{Z}}$ and temperature $T$. In the neighborhood of a zero temperature first order critical point separating a nodal from a nodeless phase, the phase boundary at low $H_{\text{Z}}$ and/or low $T$ has a universal line shape cubic in $H_{\text{Z}}$ or $T$, such that the nodal state is stabilized at the expense of the nodeless. We calculate this line shape for a model of competing s_\pm-wave and d-wave pairing in iron-based superconductors.",1704.05525v1 2017-06-27,Orbital mismatch boosting nematic instability in iron-based superconductors,"We derive the effective action for the collective spin modes in iron-based superconductors. We show that, due to the orbital-selective nature of spin fluctuations, the magnetic and nematic instabilities are controlled by the degrees of orbital nesting between electron and hole pockets. Within a prototypical three-pockets model the hole-electron orbital mismatch is found to boost spin-nematic order. This explains the enhancement of the nematic order in FeSe as compared to 122 compounds, and its suppression under pressure, where the emergence of the second hole pocket compensates the orbital mismatch of the three-pockets configuration.",1706.08953v2 2017-07-08,Quasi-2D behavior of 112-type iron-based superconductors,"Fluctuation magnetoconductivity and magnetization above the superconducting transition temperature (Tc) are measured on the recently discovered 112 family of iron-based superconductors (IBS), Ca$_{1-x}$La$_x$Fe$_{1-y}$Ni$_y$As$_2$, which presents an extra As-As chain spacer-layer. The analysis in terms of a generalization of the Lawrence-Doniach (LD) approach to finite applied magnetic fields indicates that these compounds are among the most anisotropic IBS ($\gamma$ up to ~30), and provides a compelling evidence of a quasi-two-dimensional behavior for doping levels near the optimal one.",1707.02470v1 2017-08-29,A compact cosmic muon veto detector and possible use with the Iron Calorimeter detector for neutrinos,"The motivation for a cosmic muon veto (CMV) detector is to explore the possibility of locating the proposed large Iron Calorimeter (ICAL) detector at the India based Neutrino Observatory (INO) at a shallow depth. An initial effort in that direction, through the assembly and testing of a $\sim$ 1 m $\times$ 1 m $\times$ 0.3 m plastic scintillator based detector, is described. The plan for making a CMV detector for a smaller prototype mini-ICAL is also outlined.",1708.08597v2 2017-11-13,A possible explanation of the void discovered in the pyramid of Khufu on the basis of the pyramid texts,"A recent exploration has shown the presence of a significant void in the pyramid of Khufu at Giza. A possible explanation of this space, interpreted as a chamber connected to the lower north channel and aimed to contain a specific funerary equipment is tentatively proposed. According to the Pyramid Texts, this equipment might consist of a Iron throne, actually a wooden throne endowed with meteoritic Iron sheets.",1711.04617v2 2018-01-16,Iron single crystal growth from a lithium-rich melt,"\alpha-Fe single crystals of rhombic dodecahedral habit were grown from a melt of Li$_{84}$N$_{12}$Fe$_{\sim 3}$. Crystals of several millimeter along a side form at temperatures around $T \approx 800^\circ$C. Upon further cooling the growth competes with the formation of Fe-doped Li$_3$N. The b.c.c. structure and good sample quality of \alpha-Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90\,ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.",1801.05287v1 2018-03-21,Self-assembly of magnetic iron oxide nanoparticles into cuboidal superstructures,"This chapter describes the synthesis and some characteristics of magnetic iron oxide nanoparticles, mainly nanocubes, and focus on their self-assembly into crystalline cuboids in dispersion. The influence of external magnetic fields, the concentration of particles, and the temperature on the assembly process is experimentally investigated.",1803.07922v1 2018-04-14,"""With 1 follower I must be AWESOME :P"". Exploring the role of irony markers in irony recognition","Conversations in social media often contain the use of irony or sarcasm, when the users say the opposite of what they really mean. Irony markers are the meta-communicative clues that inform the reader that an utterance is ironic. We propose a thorough analysis of theoretically grounded irony markers in two social media platforms: $Twitter$ and $Reddit$. Classification and frequency analysis show that for $Twitter$, typographic markers such as emoticons and emojis are the most discriminative markers to recognize ironic utterances, while for $Reddit$ the morphological markers (e.g., interjections, tag questions) are the most discriminative.",1804.05253v1 2018-12-02,Novel Magnetic Block States in Low-Dimensional Iron-Based Superconductors,"Inelastic neutron scattering recently confirmed the theoretical prediction of a $\uparrow\uparrow\downarrow\downarrow$-magnetic state along the legs of quasi-one-dimensional (quasi-1D) iron-based ladders in the orbital-selective Mott phase (OSMP). We show here that electron-doping of the OSMP induces a whole class of novel block-states with a variety of periodicities beyond the previously reported $\pi/2$ pattern. We discuss the magnetic phase diagram of the OSMP regime that could be tested by neutrons once appropriate quasi-1D quantum materials with the appropriate dopings are identified.",1812.00325v2 2019-01-25,Polarized neutron reflectometry study from iron oxide nanoparticles monolayer,"We report on the polarized neutron reflectometry investigation of monolayer of magnetic iron oxide nanoparticles assembled by the Langmuir-Schaefer method. After deposition onto a solid substrate the polarized neutron reflectometry measurements in the external magnetic field were carried out. Thickness, density, roughness and in-depth resolved magnetization profile of the resulted layer were obtained from accurate fitting routine.",1901.08819v1 2019-10-09,Electric-field control of magnetism in iron oxide nanoparticle / BaTiO3 film composites,"We study composites of monodisperse ferrimagnetic nanoparticles (NPs) embedded into ferroelectric barium titanate (BTO) films. The BTO films were prepared by pulsed laser deposition. The composite consists of a stack of two BTO films sandwiching one monolayer of iron oxide NPs. We observe a magnetoelectric coupling due to strain and interface charge co-mediation between the BTO and the NPs. This is demonstrated by measurements of the magnetization as function of DC and AC electric fields.",1910.04127v1 2019-11-20,Suppression of superconductivity by spin fluctuations in iron-based superconductors,"We study the superconducting instability mediated by spin fluctuations in the Eliashberg theory for a minimal two-band model of iron-based superconductors. While antiferromagnetic spin fluctuations can drive superconductivity (SC) as is well established, we find that spin fluctuations necessarily contain a contribution to suppress SC even though SC can eventually occur at lower temperatures. This self-restraint effect stems from a general feature of the spin-fluctuation mechanism, namely the repulsive pairing interaction, which leads to phase frustration of the pairing gap and consequently the suppression of SC.",1911.09009v3 2020-02-08,Atomic diffusion in alpha-iron across the Curie point: an effcient and transferable ab-initio-based modelling approach,"An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address these properties via Monte Carlo simulation, using ab-initio based effective interaction models. The temperature evolution of self- and Cu diffusion coeffcients in alpha-iron are successfully predicted, particularly the diffusion acceleration around the Curie point, which requires a quantum treatment of spins. We point out a dominance of magnetic disorder over chemical effects on diffusion in the very dilute systems.",2002.03126v2 2020-03-23,Inverse heat source problem and experimental design for determining iron loss distribution,"Iron loss determination in the magnetic core of an electrical machine, such as a motor or a transformer, is formulated as an inverse heat source problem. The sensor positions inside the object are optimized in order to minimize the uncertainty in the reconstruction in the sense of the A-optimality of Bayesian experimental design. This paper focuses on the problem formulation and an efficient numerical solution of the discretized sensor optimization and source reconstruction problems. A semirealistic linear model is discretized by finite elements and studied numerically.",2003.10395v2 2020-04-10,Baby MIND detector first physics run,"Baby MIND is a Magnetized Iron Neutrino Detector, serving as a downstream magnetized muon range detector for WAGASCI on the T2K beam line in Japan. The first physics run of Baby MIND together with other WAGASCI sub-detectors took place in the period from November 2019 to February 2020 (T2K run10), where a total of $4.8 \times 10^{20}$ Protons on target (POT) was delivered. Preliminary results showing Baby MIND data quality, detector performance and examples of neutrino interactions on iron during the first physics run are presented.",2004.05245v1 2020-09-03,Measurements of sub-nT dynamic magnetic field shielding with soft iron and mu-metal for use in linear colliders,"There is an increasing need to shield beams and accelerator elements from stray magnetic fields. The application of magnetic shielding in linear colliders is discussed. The shielding performance of soft iron and mu-metal is measured for magnetic fields of varying amplitude and frequency. Special attention is given to characterise the shielding performance for very small-amplitude magnetic fields.",2009.01519v2 2020-10-18,Some comments on events associated with falling terrestrial rocks and iron from the sky,"Some examples of the events associated with falls of rocks and iron terrestrial origin from the sky are considered (in scientific publications they are often called as meteor-wrongs or pseudo-meteorites). Their possible connections with other natural phenomena (like a whirlwind and a ball-lightning) are considered. Some compilation of info connected with the event in the US town of Elma in 2003 is presented. Also some possible parallels with the 1908 Tunguska event are given. The author hopes to draw attention to the need for more detailed research of such phenomena.",2012.00686v1 2021-04-15,Surface orbital order and chemical potential inhomogeneity of the iron-based superconductor FeTe0.55Se0.45 investigated with special STM tips,"The atomically clean surface of the iron-based superconductor FeTe0.55Se0.45 is investigated by low-temperature STM with different tip apex states. By manipulating a single Fe atom onto the tip apex, signatures of the orbital nature of the subsurface Fe layer of FeTe0.55Se0.45 can be identified. By preparing a charged tip state, the intrinsic spatial inhomogeneity of the chemical potential of FeTe0.55Se0.45 can be revealed. As a result, three different types of vortex bound states originating from locally varying topological properties of the FeTe0.55Se0.45 surface are observed by scanning tunneling spectroscopy.",2104.07418v1 2021-05-23,Ab initio investigation of impurity ferromagnetism in the Pd1-xFex alloys: concentration and position dependence,"We present the ab initio results of the structural and magnetic properties of the Pd host matrix implanted with Fe solute atoms at various concentrations. By means of density functional theory we confirm that iron impurities are able to initialize significant magnetization of the Pd atoms, when the impurity consentation exceeds 3 at.%. Besides, we demonstrate that the imposed magnetization depends on impurity positions in the host matrix, in particular, there is a maximum of magnetization for a uniform distribution of the iron impurity.",2105.10918v1 2021-09-20,Quantile Regression for positive data using a general class of distributions,"This paper presents a general class of quantile regression models for positive continuous data. In this class of models we consider that the response variable has a IRON distribution. We provide inference and diagnostic tools for this class of models. An R package, called IRON, was implemented. This package provides estimation and inference for the parameters and tools useful to check the fit of models. The methods are also illustrated with an application to modeling household income in Chile.",2109.09281v1 2021-09-26,Monte Carlo simulation of ultrafast nonequilibrium spin and charge transport in iron,"Spin transport and spin dynamics after femtosecond laser pulse irradiation of iron (Fe) are studied using a kinetic Monte Carlo model. This model simulates spin dependent dynamics by taking into account two interaction processes during nonequilibrium: Elastic electron - lattice scattering, where only the direction of the excited electrons changes neglecting the energy loss, and inelastic electron - electron interaction, where secondary electrons are generated. An analysis of the particle kinetics inside the material shows that a smaller elastic scattering time affects the spin dynamics by leading to a larger spatial spread of electrons in the material, whereas generation of secondary electrons affects the spin transport with a larger time of propagation of homogeneous spin polarization.",2109.12578v1 2021-11-22,"Electron and Superconducting Properties of the AFeAs (A= Li, Na) Family Alkali-Metal Pnictides: Current Stage of the Research (mini-review)","The review is focused on one of the most exotic families of iron-based superconductors belonging to the AFeAs structural type, where A is alkali metal. We briefly concern physical and electron properties of the typical members of this family, LiFeAs and NaFeAs, discuss the theoretical models describing the multiple-gap superconducting state, and the experimental data available in literature. As well, we specify the main unsolved problems, that seem crucial for both the AFeAs family and for iron-based superconductors in general.",2111.11122v1 2022-03-11,Electrical Conductivity of Iron in Earth's Core from Microscopic Ohm's Law,"Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably measuring these properties under Earth-core conditions calls for sophisticated theoretical methods that can support diagnostics. We present results of the electrical conductivity within the pressure and temperature ranges found in Earth's core from simulating microscopic Ohm's law using time-dependent density functional theory. Our predictions provide a new perspective on resolving discrepancies in recent experiments.",2203.06025v1 2022-07-18,Direct observation of the spin exciton in Andreev spectroscopy of iron-based superconductors,"Quasiparticle excitations provide viable information on the physics of unconventional superconductors. Higgs and Leggett modes are some of the classic examples. Another important bosonic excitation is the spin exciton originating from the sign-changing superconducting gap structure. Here we report a direct observation of the temperature-dependent spin exciton in the Andreev spectra of iron-based superconductors. Combined with the other experimental evidence, our observation confirms the extended $s$-wave ($s_\pm$) order parameter symmetry and indirectly proves the spin-fluctuation mechanism of Cooper pairing.",2207.08493v2 2023-01-11,Mathematical and Physical Properties of Three-Band s+- Eliashberg Theory for Iron Pnictides,"The phenomenology of the iron pnictide superconductor can be described by the threeband s+- Eliashberg theory in which the mechanism of superconducting coupling is mediated by antiferromagnetic spin fluctuations and whose characteristic energy W0 scales with Tc according to the empirical law W0 = 4.65kBTc. This model presents the universal characteristics that are independent of the critical temperature, such as the link between the two free parameters l13 and l23 and the ratio Di/kBTc.",2301.04557v1 2023-05-04,"Iron-based superconductors: teenage, complex, challenging","The advent of iron-based superconductors in 2008 came as a complete surprise to the condensed matter community. Now 15 years later, they are beginning to impart some of their new-found wisdom on a slew of emerging superconductors that boast similar traits.",2305.03035v1 2023-08-26,Multivariate Majorization in Principal-Agents Models,"We introduce a definition of multivariate majorization that is new to the economics literature. Our majorization technique allows us to generalize Mussa and Rosen's (1978) ""ironing"" to a broad class of multivariate principal-agents problems. Specifically, we consider adverse selection problems in which agents' types are one dimensional but informational externalities create a multidimensional ironing problem. Our majorization technique applies to discrete and continuous type spaces alike and we demonstrate its usefulness for contract theory and mechanism design. We further show that multivariate majorization yields a natural extension of second-order stochastic dominance to multiple dimensions and derive its implications for decision making under multivariate risk.",2308.13804v1 2023-10-10,Ab initio description of bcc iron with correlation matrix renormalization theory,"We applied the ab initio spin-polarized Correlation Matrix Renormalization Theory (CMRT) to the ferromagnetic state of the bulk BCC iron. We showed that it was capable of reproducing the equilibrium physical properties and the pressure-volume curve in good comparison with experiments. We then focused on the analysis of its local electronic correlations. By exploiting different local fluctuation-related physical quantities as measures of electronic correlation within target orbits, we elucidated the different roles of $t_{2g}$ and $e_g$ states in both spin channels and presented compelling evidence to showcase this distinction in their electronic correlation.",2310.06942v1 1994-06-07,Abundances of four very metal-poor stars of the BPS survey,"High resolution CASPEC and EMMI spectra (R$\approx$10$^4$) of the faint metal- deficient candidates CS 22891--209, CS 22897--8, CS 22948--66 and CS 22968--14 taken from the survey of Beers, Preston and Shectman (1985, BPS) are analyzed for abundances. The fine analysis with LTE model atmospheres gives an iron metallicity for the four stars between $-$3.15 and $-$3.45 in good agreement with the abundances inferred from CaII K index by Beers et al. (1992). These four objects considerably augment the number of spectroscopically studied stars at the low metallicity extreme. We found the $\alpha$-elements Mg, Ca, Si, and Ti enhanced, and the iron-peak elements Sc, Mn and Cr tracking closely iron with the typical pattern of the more metallic halo stars. Aluminum results deficient with respect both to iron and to magnesium showing a strong {\it odd-even\/} effect, but for [Fe/H] $\leq$ $-$3.0 [Al/Mg] levels out into a plateau around $-$1.0, showing a primary behaviour. [Na/Fe] is $\approx$ $-$0.2 and only compared to magnesium it shows a mild odd-even effect. The heavy elements Sr and Ba show a large scatter which is not observed for other elements and cannot be due to observational errors only. In the case of CS 22891--209 they are particularly overabundant with [Sr,Ba/Fe] $\approx$ 0.9. The spread might reflect the presence of strong inhomogeneities in the interstellar gas at the earliest stages of Galaxy formation. This might be an important signature of the still elusive processes of the early formation of these elements observed in old stars.",9406018v1 1995-03-14,CHEMICAL ABUNDANCES IN CLUSTERS OF GALAXIES,"We study the origin of iron and alpha-elements (O, Mg, Si) in clusters of galaxies. In particular, we discuss the [O/Fe] ratio and the iron mass-to-luminosity ratio in the intracluster medium (ICM) and their link to the chemical and dynamical evolution of elliptical and lenticular galaxies. We adopt a detailed model of galactic evolution incorporating the development of supernovae- driven galactic winds which pollute the ICM with enriched ejecta. We demonstrate \it quantitatively \rm the crucial dependence upon the assumed stellar initial mass function in determining the evolution of the mass and abundances ratios of heavy elements in typical model ICMs. We show that completely opposite behaviours of [alpha/Fe] ratios (\ie positive versus negative ratios) can be obtained by varying the initial mass function without altering the classic assumptions regarding type Ia supernovae progenitors or their nucleosynthesis. Our results indicate that models incorporating somewhat flatter-than-Salpeter initial mass functions (ie x approx 1, as opposed to x=1.35) are preferred, provided the intracluster medium iron mass-to-luminosity ratio, preliminary [alpha/Fe]>0 ASCA results, and present-day type Ia supernovae rates, are to be matched. A simple Virgo cluster simulation which adheres to these constraints shows that approx 70% of the measured ICM iron mass has its origin in type II supernovae, with the remainder being synthesized in type Ia systems.",9503057v1 1995-07-24,Good Abundances from Bad Spectra: I. Techniques,"We have developed techniques to extract true iron abundances and surface gravities from spectra of the type provided by the multiple-object fibre-fed spectroscopic radial-velocity surveys underway with 2dF, HYDRA, NESSIE, and the forthcoming Sloan survey. Our method is optimised for low S/N, intermediate resolution blue spectra of G stars. Spectroscopic indices sensitive to iron abundance and gravity are defined from a set of narrow (few Angstrom) wavelength intervals, and calibrated using synthetic spectra. We have also defined a single abundance indicator which is able to provide useful iron abundance information from spectra having S/N ratios as low as 10 per Angstrom. The theoretical basis and calibration using synthetic spectra are described in this paper. The empirical calibration of these techniques by application to observational data is described in Jones, Wyse and Gilmore (PASP July 1995). The technique provides precise iron abundances, with zero-point correct to $\sim 0.1$ dex, and is reliable, with typical uncertainties being $\approxle 0.2$ dex. A derivation of the {\it in situ\/} thick disk metallicity distribution using these techniques is presented by Gilmore, Wyse and Jones (AJ 1995 v109 p1095).",9507091v1 1997-06-09,Iron as a tracer in galaxy clusters and groups,"Available X-ray data are collected and organized concerning the iron and gas content of galaxy clusters and groups, together with the optical luminosity, mass and iron abundance of cluster galaxies. Several astrophysical inferences are then drawn, including the evidence for rich clusters having evolved without much baryon exchange with their surrondings, and having experienced very similar star formation histories. Groups are much gas-poor compared to clusters, and appear instead to have shed a major fraction of their original cosmic share of baryons, which indicates that galaxy clusters cannot have formed by assembling groups similar to the present day ones. It is argued that this favors low-$\Omega$ universes, in which the growth of rich clusters is virtually complete at high redshifts. It is also argued that elemental abundance ratios in clusters are nearly solar, which is consistent with a similar proportion of supernovae of Type Ia and Type II having enriched both the solar neghborhood as well clusters as a whole. Much of the iron in clusters appears to reside in the intracluster medium rather than inside galaxies. It appears that the baryon to star conversion in clusters has been nearly as efficient as currently adopted for the universe as a whole. Yet the metallicity of the clusters is $\sim 5$ times higher than the global metallicity adopted for the nearby universe. It is concluded that the intergalactic medium should have a metallicity $\sim 1/3$ solar if stellar nucleosynthesis has proceeded in stars within field galaxies with the same efficiency as in stars within clusters of galaxies.",9706083v1 1997-10-07,Ionization Structure and Spectra of Iron in Gaseous Nebulae},"The emission spectra and the ionization structure of the low ionization stages of iron, Fe I--IV, in gaseous nebulae are studied. This work includes: (i) new atomic data: photoionization cross sections, total e-ion recombination rates, excitation collision strengths, and transition probabilities; (ii) detailed study of excitation mechanisms for the [Fe II], [Fe III], and [Fe IV] emission, and spectroscopic analysis of the observed IR, optical, and UV spectra; (iii) study of the physical structure and kinematics of the nebulae and their ionization fronts. Spectral analysis of the well observed Orion nebula is carried out as a test case, using extensive collisional-radiative and photoionization models. It is shown that the [Fe II] emission from the Orion nebula is predominantly excited via electron collisions in high density partially ionized zones; radiative fluorescence is relatively less effective. Further evidence for high density zones is derived from the [O I] and [Ni II] spectral lines, as well as from the kinematic measurements of ionic species in the nebula. The ionization structure of iron in Orion is modeled using the newly calculated atomic data, showing some significant differences from previous models. The new model suggests a fully ionized H II region at densities on the order of $10^3$ cm$^{-3}$, and a dynamic partially ionized H II/H I region at densities of $10^5-10^7$ \cm3. Photoionization models also indicate that the optical [O I] and [Fe II] emission originates in high density partially ionized regions within ionization fronts. The gas phase iron abundance in Orion is estimated from observed spectra.",9710073v1 1999-06-24,X-ray iron line variability for the model of an orbiting flare above a black hole accretion disc,"The broad X-ray iron line, detected in many active galactic nuclei, is likely to be produced by fluorescence from the X-ray illuminated central parts of an accretion disc close to a supermassive black hole. The time-averaged shape of the line can be explained most naturally by a combination of special and general relativistic effects. Such line profiles contain information about the black hole spin and the accretion disc as well as the geometry of the emitting region and may help to test general relativity in the strong gravity regime. In this paper we embark on the computation of the temporal response of the line to the illuminating flux. Previous studies concentrated on the calculation of reverberation signatures from static sources illuminating the disc. In this paper we focus on the more physically justified case of flares located above the accretion disc and corotating with it. We compute the time dependent iron line taking into account all general relativistic effects and show that its shape is of very complex nature, and also present light curves accompanying the iron line variability. We suggest that future X-ray satellites like XMM or Constellation-X may be capable of detecting features present in the computed reverberation maps.",9906397v1 1999-07-26,Model Photospheres for Late-Type Stars from the Inversion of High-Resolution Spectroscopic Observations. Groombridge 1830 and Epsilon Eridani,"An inversion technique to recover LTE one-dimensional model photospheres for late-type stars, which was previously applied to the Sun (Allende Prieto et al. 1998), is now employed to reconstruct, semi-empirically, the photospheres of cooler dwarfs: the metal-poor Gmb1830 and the active star of solar-metallicity Eps Eri. The model atmospheres we find reproduce satisfactorily all the considered weak-to-moderate neutral lines of metals, satisfying in detail the excitation equilibrium of iron, the wings of strong lines, and the slope of the optical continuum. The retrieved models show a slightly steeper temperature gradient than flux-constant model atmospheres in the layers where log tau <= -0.5. We argue that these differences should reflect missing ingredients in the flux-constant models and point to granular-like inhomogeneities as the best candidate. The iron ionization equilibrium is well satisfied by the model for Gmb1830, but not for Eps Eri, for which a discrepancy of 0.2 dex between the logarithmic iron abundance derived from neutral and singly ionized lines may signal departures from LTE. The chemical abundances of calcium, titanium, chromium, and iron derived with the empirical models from neutral lines do not differ much from previous analyses based on flux-constant atmospheric structures.",9907368v1 1999-12-17,Discovery of a red and blue shifted iron disk line in the galactic jet source GRO J1655-40,"We report the discovery of emission features in the X-ray spectrum of GRO J1655-40 obtained with RXTE during the observation of 1997, Feb 26. We have fitted the features firstly by two Gaussian lines which in four spectra analysed have average energies of 5.85 +/- 0.08 keV and 7.32 +/- 0.13 keV, strongly suggestive that these are the red and blue shifted wings of an iron disk line. These energies imply a velocity of ~0.33 c. The blue wing is less bright than in the calculated profiles of disk lines near a black hole subject to Doppler boosting, however known Fe absorption lines in GRO J1655-40 at energies between ~7 and 8 keV can reduce the apparent brightness of the blue wing. Secondly, we have fitted the spectra using the disk line model of Laor based on a full relativistic treatment plus an absorption line, and show that good fits are obtained. This gives a restframe energy of the disk line between 6.4 and 6.8 keV indicating that the line is iron K_alpha emission probably of significantly ionized material. The Laor model shows that the line originates in a region of the accretion disk extending from ~10 Schwarzschild radii from the black hole outwards. The line is direct evidence for the black hole nature of the compact object and is the first discovery of a highly red and blue shifted iron disk line in a Galactic source.",9912389v2 2000-03-07,The Chandra Iron-L X-Ray Line Spectrum of Capella,"An analysis of the iron L-shell emission in the publicly available spectrum of the Capella binary system, as obtained by the High Energy Transmission Grating Spectrometer on board the Chandra X-ray Observatory, is presented. The atomic-state model, based on the HULLAC code, is shown to be especially adequate for analyzing high-resolution x-ray spectra of this sort. Almost all of the spectral lines in the 10 - 18 Angstrom wavelength range are identified. It is shown that, for the most part, these lines can be attributed to emission from L-shell iron ions in the Capella coronae. Possibilities for electron temperature diagnostics using line ratios of Fe16+ are demonstrated. It is shown that the observed iron-L spectrum can be reproduced almost entirely by assuming a single electron temperature of kTe= 600 eV. This temperature is consistent with both the measured fractional ion abundances of iron and with the temperature derived from ratios of Fe16+ lines. A volume emission measure of 1053 cm-3 is calculated for the iron L-shell emitting regions of the Capella coronae indicating a rather small volume of 1029 cm3 for the emitting plasma if an electron density of 1012 cm-3 is assumed.",0003099v3 2000-03-27,Atomic data from the Iron Project.XLIV. Transition probabilities and line ratios for Fe VI with fluorescent excitation in planetary nebulae,"Relativistic atomic structure calculations for electric dipole E1, electric quadrupole E2 and magnetic dipole M1 transition probabilities among the first 80 fine-structure levels of Fe VI, dominated by configurations 3d^3, 3d^24s, and 3d^24p, are carried out using the Breit-Pauli version of the code Superstructure. Experimental energies are used to improve the accuracy of these transition probabilities. Employing the 80-level collision-radiative (CR) model with these dipole and forbidden transition probabilities, and Iron Project R-matrix collisional data, we present a number of [Fe VI] line ratios applicable to spectral diagnostics of photoionized H II regions. It is shown that continuum fluorescent excitation needs to be considered in CR models in order to interpret the observed line ratios of optical [Fe VI] lines in planetary nebulae NGC 6741, IC 351, and NGC 7662. The analysis leads to parametrization of line ratios as function of, and as constraints on, the electron density and temperature, as well as the effective radiation temperature of the central source and a geometrical dilution factor. The spectral diagnostics may also help ascertain observational uncertainties. The method may be generally applicable to other objects with intensive background radiation fields, such as novae and active galactic nuclei. The extensive new Iron Project radiative and collisional calculations enable a consistent analysis of many line ratios for the complex iron ions.",0003410v1 2000-06-13,Hot HB stars in globular clusters - Physical parameters and consequences for theory. V. Radiative levitation versus helium mixing,"Atmospheric parameters (effective temperature Teff, surface gravity log g), masses and helium abundances are derived for 42 hot horizontal branch (HB) stars in the globular cluster NGC 6752. For 19 stars we derive magnesium and iron abundances as well and find that iron is enriched by a factor of 50 on average with respect to the cluster abundance whereas the magnesium abundances are consistent with the cluster abundance. Radiation pressure may levitate heavy elements like iron to the surface of the star in a diffusive process. Taking into account the enrichment of heavy elements in our spectroscopic analyses we find that high iron abundances can explain part, but not all, of the problem of anomalously low gravities along the blue HB. The blue HB stars cooler than about 15,100 K and the sdB stars (Teff > 20,000 K) agree well with canonical theory when analysed with metal-rich ([M/H] = +0.5) model atmospheres, but the stars in between these two groups remain offset towards lower gravities and masses. Deep Mixing in the red giant progenitor phase is discussed as another mechanism that may influence the position of the blue HB stars in the (Teff, log g)-plane but not their masses.",0006182v2 2000-12-13,XMM-Newton observation of the Tycho Supernova Remnant,"We present the observation of the Tycho supernova remnant obtained with the EPIC and RGS instruments onboard the XMM-Newton satellite. We compare images and azimuthally averaged radial profiles in emission lines from different elements (silicon and iron) and different transition lines of iron (Fe L and Fe K). While the Fe XVII L line and Si XIII K line images are globally spatially coincident, the Fe K emission clearly peaks at a smaller radius, indicating a higher temperature toward the reverse shock. This is qualitatively the profile expected when the reverse shock, after travelling through the outer power-law density profile, has entered the central plateau of the ejecta. The high energy continuum map has an overall smooth distribution, with a similar extent to the radio emission. Its radial profile peaks further out than the lines emission. Brighter and harder continuum regions are observed with a rough bipolar symmetry in the eastern and western edges. The spectral analysis of the southeastern knots supports spatial variations of the relative abundance of silicon and iron, which implies an incomplete mixing of the silicon and iron layers.",0012288v1 2001-01-25,Evolution of Iron K$_α$ Line Emission in the Black Hole Candidate GX 339-4,"GX 339-4 was regularly monitored with RXTE during a period (in 1999) when its X-ray flux decreased significantly (from 4.2$\times 10^{-10}$ erg cm$^{-2} s^{-1}$ to 7.6$\times 10^{-12}$ erg cm$^{-2}$s$^{-1}$ in the 3--20 keV band), as the source settled into the ``off state''. Our spectral analysis revealed the presence of a prominent iron K$_{\alpha}$ line in the observed spectrum of the source for all observations. The line shows an interesting evolution: it is centered at $\sim$6.4 keV when the measured flux is above 5$\times 10^{-11}$ erg cm$^{-2} s^{-1}$, but is shifted to $\sim$6.7 keV at lower fluxes. The equivalent width of the line appears to increase significantly toward lower fluxes, although it is likely to be sensitive to calibration uncertainties. While the fluorescent emission of neutral or mildly ionized iron atoms in the accretion disk can perhaps account for the 6.4 keV line, as is often invoked for black hole candidates, it seems difficult to understand the 6.7 keV line with this mechanism, because the disk should be less ionized at lower fluxes (unless its density changes drastically). On the other hand, the 6.7 keV line might be due to recombination cascade of hydrogen or helium like iron ions in an optically thin, highly ionized plasma. We discuss the results in the context of proposed accretion models.",0101459v1 2001-04-03,On the absorption feature in the prompt X-ray spectrum of GRB 990705,"The absorption feature detected in the prompt X-ray emission of GRB 990705 bears important consequences. We investigate different production mechanisms and we conclude that the absorbing material cannot be very close to the burster and is likely to be moderately clumped. These properties challenge any model in which the burst explodes in coincidence with the core-collapse of a massive rotating star. We show that the straightforward interpretation of the absorption feature as a photoionization K edge of neutral iron faces a severe problem in that it requires a huge amount of iron in the close vicinity of the burster. We then discuss an alternative scenario, in which iron ions are kept in a high ionization state by the burst flux, and the absorption feature is produced by resonant scattering from hydrogen-like iron, broadened by a range outflow velocities. In this case the physical conditions and geometry of the absorbing material are fully consistent with the presence of a young supernova remnant surrounding the burst site at a radius R ~ 10^{16} cm. We finally discuss how this remnant might affect the generation of afterglows with a standard power-law flux decay.",0104062v1 2001-06-17,Are Stars with Planets Polluted?,"We compare the metallicities of stars with radial velocity planets to the metallicity of a sample of field dwarfs. We confirm recent work indicating that the stars-with-planet sample as a whole is iron rich. However, the lowest mass stars tend to be iron poor, with several having [Fe/H]<-0.2, demonstrating that high metallicity is not required for the formation of short period Jupiter-mass planets. We show that the average [Fe/H] increases with increasing stellar mass (for masses below 1.25 solar masses) in both samples, but that the increase is much more rapid in the stars-with-planet sample. The variation of metallicity with stellar age also differs between the two samples. We examine possible selection effects related to variations in the sensitivity of radial velocity surveys with stellar mass and metallicity, and identify a color cutoff (B-V>0.48) that contributes to but does not explain the mass-metallicity trend in the stars-with-planets sample. We use Monte Carlo models to show that adding an average of 6.5 Earth masses of iron to each star can explain both the mass-metallicity and the age-metallicity relations of the stars-with-planets sample. However, for at least one star, HD 38529, there is good evidence that the bulk metallicity is high. We conclude that the observed metallicities and metallicity trends are the result of the interaction of three effects; accretion of about 6 Earth masses of iron rich material, selection effects, and in some cases, high intrinsic metallicity.",0106294v1 2002-01-16,An X-ray view of the active nucleus in NGC 4258,"XMM-Newton observed the Seyfert 1.9 galaxy NGC 4258 in December 2000. At energies above 2 keV a hard nuclear point source is resolved that can be fitted by a highly absorbed power-law spectrum (NH = (8.0+-0.4)x10^22 cm^-2, photon index 1.64+-0.08) with an unabsorbed luminosity of 7.5x10^40erg/s in the 2-10 keV band. No narrow iron Kalpha emission line is detected (90% upper limit of equivalent width EW ~40 eV). The nuclear emission flux was observed to remain constant over the observation. A short archival Chandra observation taken in March 2000 further constrains the hard emission to a point source coincident with the radio nucleus. A point source ~3"" southwest of the nucleus does not contribute significantly. Spectral results of the Chandra nuclear source are comparable (within the limited statistics) to the XMM-Newton parameters. The comparison of our iron line upper limit with reported detections indicates variability of the line EW. These results can be explained by the relatively low nuclear absorption of NGC 4258 (which is in the range expected for its intermediate Seyfert type) and some variability of the absorbing material. Reflection components as proposed to explain the large iron line EW of highly absorbed Seyfert 2 galaxies and/or variations in the accretion disk are however imposed by the time variability of the iron line flux.",0201267v1 2003-01-13,Spectral variations of the X-ray binary pulsar LMC X-4 during its long period intensity variation and a comparison with Her X-1,"We present spectral variations of the binary X-ray pulsar LMC X-4 using the RXTE/PCA observations at different phases of its 30.5 day long super-orbital period. Only out of eclipse data were used for this study. During the high state of the super-orbital period of LMC X-4, the spectrum is well described by a high energy cut-off power-law with a photon index in the range of 0.7-1.0 and an iron emission line. In the low state, the spectrum is found to be flatter with power-law photon index in the range 0.5-0.7. A direct correlation is detected between the continuum flux in 7-25 keV energy band and the iron emission line flux. The equivalent width of the iron emission line is found to be highly variable during low intensity state, whereas it remains almost constant during the high intensity state of the super-orbital period. It is observed that the spectral variations in LMC X-4 are similar to those of Her X-1 (using RXTE/PCA data). These results suggest that the geometry of the region where the iron line is produced and its visibility with respect to the phase of the super-orbital period is similar in LMC X-4 and Her X-1. A remarkable difference between these two systems is a highly variable absorption column density with phase of the super-orbital period that is observed in Her X-1 but not in LMC X-4.",0301208v1 2003-02-13,The variability of accretion onto Schwarzschild black holes from turbulent magnetized discs,"We use global magnetohydrodynamic simulations, in a pseudo-Newtonian potential, to investigate the temporal variability of accretion discs around Schwarzschild black holes. We use the vertically-averaged magnetic stress in the simulated disc as a proxy for the rest-frame dissipation, and compute the observed emission by folding this through the transfer function describing the relativistic beaming, light bending and time delays near a non-rotating black hole. The temporal power spectrum of the predicted emission from individual annuli in the disc is described by a broken power law, with indices of -3.5 at high frequency and 0 to -1 at low frequency. Integrated over the disc, the power spectrum is approximated by a single power law with an index of -2. Increasing inclination boosts the relative power at frequencies of around 0.3 times the orbital frequency at the marginally stable orbit, but no evidence is found for sharp quasi-periodic oscillations in the lightcurve. Assuming that fluorescent iron line emission locally tracks the continuum flux, we compute simulated broad iron line profiles. We find that relativistic beaming of the non-axisymmetric emission profile, induced by turbulence, produces high-amplitude variability in the iron line profile. We show that this substructure within the broad iron line profile can survive averaging over a number of orbital periods, and discuss the origin of the anomalous X-ray spectral features, recently reported by Turner et al. (2002) for the Seyfert galaxy NGC3516, in the context of turbulent disc models.",0302271v1 2003-03-06,Iron K alpha line profiles and the inner boundary condition of accretion flows,"Recent X-ray observations have shown evidence for exceptionally broad and skewed iron K alpha emission lines from several accreting black hole systems. The lines are assumed to be due to fluorescence of the accretion disk illuminated by a surrounding corona and require a steep emissivity profile increasing in to the innermost radius. This appears to question both standard accretion disc theory and the zero torque assumption for the inner boundary condition, both of which predict a much less extreme profile. Instead it argues that a torque may be present due to magnetic coupling with matter in the plunging region or even to the spinning black hole itself. Discussion so far has centered on the torque acting on the disc. However the crucial determinant of the iron line profile is the radial variation of the power radiated in the corona. Here we study the effects of different inner boundary conditions on the coronal emissivity and on the profiles of the observable Fe K alpha lines. We argue that in the extreme case where a prominent highly redshifted component of the iron line is detected, requiring a steep emissivity profile in the innermost part and a flatter one outside, energy from the gas plunging into the black hole is being fed directly to the corona.",0303143v1 2003-05-13,Iron abundance in the ICM at high redshift,"We present the analysis of the X-ray spectra of 18 distant clusters of galaxies with redshift 0.3 < z < 1.3. Most of them were observed with the Chandra satellite in long exposures ranging from 36 ks to 180 ks. For two of the z>1 clusters we also use deep XMM-Newton observations. Overall, these clusters probe the temperature range 3 =0.8 is Z =0.25 +0.04 -0.06 Zo, consistent with the local canonical metallicity value, Z ~0.3 Zo, within 1sigma confidence level. Medium and low temperature clusters (kT <5 keV) tend to have larger iron abundances than hot clusters. At redshift ~1.2 (4 clusters at z>1) we obtain a statistically significant detection of the Fe-K line only in one cluster (Z>0.10 Zo at the 90% c.l.). Combining all the current data set from Chandra and XMM at z>1, the average metallicity is measured to be = 0.21 +0.10 -0.05 Zo (1sigma error), thus suggesting no evolution of the mean iron abundance out to z~1.2.",0305223v1 2003-08-15,The impact of pollution on stellar evolution models,"An approach is introduced for incorporating the concept of stellar pollution into stellar evolution models. The approach involves enhancing the metal content of the surface layers of stellar models. In addition, the surface layers of stars in the mass range of 0.5-2.0 Solar masses are mixed to an artificial depth motivated by observations of lithium abundance. The behavior of polluted stellar evolution models is explored assuming the pollution occurs after the star has left the fully convective pre main sequence phase. Stellar models polluted with a few Earth masses of iron are significantly hotter than stars of the same mass with an equivalent bulk metallicity. Polluted stellar evolution models can successfully reproduce the metal-rich, parent star tau Bootis and suggest a slightly lower mass than standard evolution models. Finally, the possibility that stars in the Hyades open cluster have accreted an average of 0.5 Earth masses of iron is explored. The results indicate that it is not possible to rule out stellar pollution on this scale from the scatter of Hyades stars on a color-magnitude diagram. The small amount of scatter in the observational data set does rule out pollution on the order of 1.5 Earth masses of iron. Pollution effects at the low level of 0.5 Earth masses of iron do not produce substantial changes in a star's evolution.",0308267v1 2003-09-23,Does the Iron K$_α$ Line of Active Galactic Nuclei Arise from the Cerenkov Line-like Radiation?,"When thermal relativistic electrons with isotropic distribution of velocities move in a gas region, or impinge upon the surface of a cloud that consists of a dense gas or doped dusts, the Cerenkov effect produces peculiar atomic or ionic emission lines -- the Cerenkov line-like radiation. This newly recognized emission mechanism may find wide applications in high-energy astrophysics. In this paper, we tentatively adopt this new line emission mechanism to discuss the origin of iron K$_{\alpha}$ feature of AGNs. Motivation of this research is to attempt a solution to a problem encountered by the ``disk-fluorescence line'' model, i.e. the lack of temporal response of the observed iron K$_{\alpha}$ line flux to the changes of the X-ray continuum flux. If the Cerenkov line emission is indeed responsible significantly for the iron K$_{\alpha}$ feature, the conventional scenario around the central supermassive black holes of AGNs would need to be modified to accommodate more energetic, more violent and much denser environments than previously thought.",0309604v1 2003-09-29,The Type-Ia Supernova Rate in z < 1 Galaxy Clusters: Implications for Progenitors and the Source of Cluster Iron,"The iron mass in galaxy clusters is about 6 times larger than could have been produced by core-collapse supernovae (SNe), assuming the stars in the cluster formed with a standard initial mass function (IMF). SNe Ia have been proposed as the alternative dominant iron source. Different SN Ia progenitor models predict different ``delay functions'' between the formation of a stellar population and the explosion of some of its members as SNe Ia. We use our previous measurements of the cluster SN Ia rate at high redshift to constrain SN Ia progenitor models and the star-formation epoch in clusters. The low observed rate of cluster SNe Ia at z ~ 0 - 1 means that, if SNe Ia produced the observed amount of iron, they must have exploded at even higher z. This puts a >95% upper limit on the mean SN Ia delay time of tau <2 Gyr (<5 Gyr) if the stars in clusters formed at redshift z<2 (z<3), assuming Ho=70 km/s/Mpc. In a companion paper (astro-ph/0309796), we show that, for some current versions of cosmic (field) star formation history (SFH), observations of field SNe Ia place a lower bound on the delay time, tau>3 Gyr. If these SFHs are confirmed, the entire range of tau will be ruled out. Cluster enrichment by core-collapse SNe from a top-heavy IMF will then remain the only viable option.",0309797v1 2004-02-25,Oxygen Overabundance in the Extremely Iron-Poor Star CS29498-043,"An abundance analysis for the carbon-enhanced, extremely iron-poor ([Fe/H] -3.5) star CS29498-043 has been obtained using new high-resolution, high signal-to-noise spectra from the Subaru Telescope. The [O I] forbidden line at 6300A and the O I triplet feature at 7771-7776A are both clearly detected. The overabundance of oxygen is significant ([O/Fe]>2). In addition, Na, Co, and Ni abundances have been newly measured. The abundance pattern from C to Ni of this object is quite similar to that of CS 22949--037, another extremely metal-poor star with large excesses of C, N, O, and the alpha-elements. The abundance patterns of these two stars suggest the existence of supernovae progenitors that ejected relatively little material fromtheir iron cores during the very early era of nucleosynthesis in the Galaxy. Themetallicity in these objects, when one includes the elements C, N, and O in the tally of total metals, is not as low as in the most metal-poor stars, suggesting the existence of quite different formation processes for these iron-deficient objects than pertain to the bulk of other metal-deficient stars.",0402585v1 2004-05-11,Photoionization Modeling and the K Lines of Iron,"We calculate the efficiency of iron K line emission and iron K absorption in photoionized models using a new set of atomic data. These data are more comprehensive than those previously applied to the modeling of iron K lines from photoionized gases, and allow us to systematically examine the behavior of the properties of line emission and absorption as a function of the ionization parameter, density and column density of model constant density clouds. We show that, for example, the net fluorescence yield for the highly charged ions is sensitive to the level population distribution produced by photoionization, and these yields are generally smaller than those predicted assuming the population is according to statistical weight. We demonstrate that the effects of the many strongly damped resonances below the K ionization thresholds conspire to smear the edge, thereby potentially affecting the astrophysical interpretation of absorption features in the 7-9 keV energy band. We show that the centroid of the ensemble of K$\alpha$ lines, the K$\beta$ energy, and the ratio of the K$\alpha_1$ to K$\alpha_2$ components are all diagnostics of the ionization parameter of our model slabs",0405210v1 2004-07-17,Time-dependent Circulation Flows: Iron Enrichment in Cooling Flows with Heated Return Flows,"We describe a new type of dynamical model for hot gas in galaxy groups and clusters in which gas moves simultaneously in both radial directions. Circulation flows are consistent with (1) the failure to observe cooling gas in X-ray spectra, (2) multiphase gas observed near the centers of these flows and (3) the accumulation of iron in the hot gas from Type Ia supernovae in the central galaxy. Dense inflowing gas cools, producing a positive central temperature gradient, as in normal cooling flows. Bubbles of hot, buoyant gas flow outward. Circulation flows eventually cool catastrophically if the outward flowing gas transports mass but no heat; to maintain the circulation both mass and energy must be supplied to the inflowing gas over a large volume, extending to the cooling radius. The rapid radial recirculation of gas produces a flat central core in the gas iron abundance, similar to many observations. We believe the circulation flows described here are the first gasdynamic, long-term evolutionary models that are in good agreement with all essential features observed in the hot gas: little or no gas cools as required by XMM spectra, the gas temperature increases outward near the center, and the gaseous iron abundance is about solar near the center and decreases outward.",0407367v1 2004-10-28,Hydrodynamic model atmospheres for WR stars: Self-consistent modeling of a WC star wind,"We present the first non-LTE atmosphere models for WR stars that incorporate a self-consistent solution of the hydrodynamic equations. The models account for iron-group line-blanketing and clumping, and compute the hydrodynamic structure of a radiatively driven wind consistently with the non-LTE radiation transport in the co-moving frame. We construct a self-consistent wind model that reproduces all observed properties of an early-type WC star (WC5). We find that the WR-type mass-loss is initiated at high optical depth by the so-called `Hot Iron Bump' opacities (Fe IX-XVI). The acceleration of the outer wind regions is performed by iron-group ions of lower excitation in combination with C and O. Consequently, the wind structure shows two acceleration regions, one close to the hydrostatic wind base in the optically thick part of the atmosphere, and another farther out in the wind. In addition to the radiative acceleration, the `Iron Bump' opacities are responsible for an intense heating of deep atmospheric layers. We find that the observed narrow OVI-emissions in the optical spectra of WC stars originate from this region. By their dependence on the clumping factor we gain important information about the location where the density inhomogeneities in WR-winds start to develop.",0410697v1 2005-06-13,Brief history of the metal accumulation in the intracluster medium,"We use models of the rates of Type Ia supernovae (SNe Ia) and core-collapse supernovae, built in such a way that both are consistent with recent observational constraints at z<1.6 and can reproduce the measured cosmic star formation rate, to recover the history of the metals accumulation in the intra-cluster medium. We show that these SN rates, in unit of SN number per comoving volume and rest-frame year, provide on average a total amount of Iron that is marginally consistent with the value measured in galaxy clusters in the redshift range 0-1, and a relative evolution with redshift that is in agreement with the observational constraints up to z~1.2. Moreover, we verify that the predicted metals to Iron ratios reproduce the measurements obtained in nearby clusters through X-ray analysis, implying that (1) about half of the Iron mass and >75 per cent of the Nickel mass observed locally are produced by SN Ia ejecta, (2) the SN Ia contribution to the metal budget decreases steeply with redshift and by z~1 is already less than half of the local amount and (3) a transition in the abundance ratios relative to the Iron is present between redshifts ~0.5 and 1.4, with core-collapse SN products becoming dominant at higher redshifts.",0506272v2 2006-10-03,The iron K feature in Narrow Line Seyfert 1's: evidence for a P Cygni profile?,"Narrow Line Seyfert 1 galaxies are generally accreting at high fractions of the Eddington limit. They can show complex X-ray spectra, with a strong `soft excess' below 2 keV and a sharp drop at ~7 keV. There is strong evidence linking the soft excess to either reflection or absorption from relativistic, partially ionized material close to the black hole. The reflection models can also simultaneously produce the 7 keV feature from fluorescent iron Ka line emission from the disc. Here we show that absorption can also produce a sharp feature at 7 keV from the P Cygni profile which results from absorption/scattering/emission of He- and H-like iron Ka resonance lines in the wind. We demonstrate this explicitly by fitting the iron feature seen in XMM-Newton data from 1H 0707-495 to a P Cygni profile. The resulting column and ionization required to produce this feature are probably larger than those needed to produce the soft excess. Nonetheless, the absorbing material could still be a single structure with stratified ionization such as that produced by the ionization instability.",0610078v1 2006-11-21,The origin of the strong soft excess and puzzling iron line complex in Mkn 841,"Mkn 841 has been observed during 3 different periods (January 2001, January 2005 and July 2005) by XMM-Newton for a total cumulated exposure time of ~108 ks. We present in this paper a broad band spectral analysis of the complete EPIC-pn data sets. These observations confirm the presence of the strong soft excess and complex iron line profile known to be present in this source since a long time. They also reveal their extreme and puzzling spectral and temporal behaviors. Indeed, the 0.5-2 keV soft X-ray flux decreases by a factor 3 between 2001 and 2005 and the line shape appears to be a mixed of broad and narrow components, both variable but on differen timescales. The broad-band 0.5-10 keV spectra are well described by a model including a primary power law continuum, a blurred photoionized reflection and a narrow iron line, the blurred reflection fitting self-consistently the soft excess and the broad line component. The origin and nature of the narrow component is unclear.",0611665v1 2007-03-16,On the Iwasawa-Taniguchi effect of radio-quiet AGN,"The existence of an anti-correlation between the Equivalent Width (EW) of the neutral narrow core of the iron Kalpha emission line and the 2-10 keV luminosity (the so-called `X-ray Baldwin' or `Iwasawa-Taniguchi' effect) has been debated in the last years. We aim at testing this claim on the largest catalogue of radio quiet AGN high-quality X-ray spectra ever published. The final sample comprises 157 objects. We search for a relation of the iron line EW not only with the X-ray luminosity, but also with the Black Hole mass, the Eddington ratio and the cosmological distance. The data presented here were analyzed homogeneously, all spectra are from the same instrument and with high Signal-to-Noise Ratio. A linear censored fit on the EW versus 2-10 keV luminosity is highly significant and yields $\log(EW_{Fe}) = (1.73\pm0.03) + (-0.17\pm0.03) \log(L_{X,44})$, where $EW_{Fe}$ is the EW of the neutral iron Kalpha line in eV and $L_{x,44}$ is the 2-10 keV X-ray luminosity in units of $10^{44}$ erg s$^{-1}$. The anti-correlation with the Eddington ratio is also very significant, while no dependence of the iron EW on the BH mass is apparent.",0703433v1 2005-12-26,Anisotropic Correlations in Epitaxial Iron Silicide: Contribution of Surface and Bulk States,Scanning tunneling microscopy,0512643v2 1999-03-22,Effect on a Hadron Shower Leakage on the Energy Response and Resolution of Hadron TILE Calorimeter,"The hadronic shower longitudinal and lateral leakages and its effect on the pion response and energy resolution of iron-scintillator barrel hadron prototype calorimeter with longitudinal tile configuration with a thickness of 9.4 nuclear interaction lengths have been investigated. The results are based on 100 GeV pion beam data at incidence angle $\Theta = 10^o$ at impact point Z in the range from - 36 to 20 cm which were obtained during test beam period in May 1995 with setup equipped scintillator detector planes placed behind and back of the calorimeter. The fraction of the energy of 100 GeV pions at $\Theta = 10^o$ leaking out at the back of this calorimeter amounts to 1.8 % and agrees with the one for a conventional iron-scintillator calorimeter. Unexpected behaviour of the energy resolution as a function of leakage is observed: 6 % lateral leakage lead to 18 % improving of energy resolution in compare with the showers without leakage. The measured values of longitudinal punchthrough probability $(18 \pm 1) %$ and $(20 \pm 1) %$ for two different hit definitions of leaking events agree with the earlier measurement for our calorimeter and with the one for a conventional iron-scintillator calorimeter with the same nuclear interaction length thickness respectively. Due to more soft cut for hit definition in the leakage detectors the measured value of longitudinal punchthrough probability more corresponds to the calculated iron equivalent length $L_{Fe} = 158 cm$.",9903051v1 2007-10-15,Transition from galactic to extragalactic cosmic rays,"The transition from galactic to extragalactic cosmic rays is discussed. One of critical indications for transition is given by the Standard Model of Galactic cosmic rays, according to which the maximum energy of acceleration for iron nuclei is of order of $E_{\rm Fe}^{\rm max} \approx 1\times 10^{17}$ eV. At $E > E_{\rm Fe}^{\rm max}$ the spectrum is predicted to be very steep and thus the Standard Model favours the transition at energy not much higher than $E_{\rm Fe}^{\rm max}$. As observations are concerned there are two signatures of transition: change of energy spectra and elongation rate (depth of shower maximum in the atmosphere $X_{\rm max}$ as function of energy). Three models of transition are discussed: dip-based model, mixed composition model and ankle model. In the latter model the transition occurs at the observed spectral feature, ankle, which starts at $E_a \approx 1\times 10^{19}$ eV and is characterised by change of mass compostion from galactic iron to extragalactic protons. In the dip model the transition occures at the second knee observed at energy $(4 -8)\times 10^{17}$ eV and is characterised by change of mass composition from galactic iron to extragalactic protons. The mixed composition model describes transition at $E \sim 3\times 10^{18}$ eV with mass composition changing from galactic iron to extragactic mixed composition of different nuclei. These models are confronted with observational data on spectra and elongation rates from different experiments, including Auger.",0710.2750v2 2008-01-10,On why the Iron K-shell absorption in AGN is not a signature of the local Warm/Hot Intergalactic Medium,"We present a comparison between the 2001 XMM-Newton and 2005 Suzaku observations of the quasar, PG1211+143 at z=0.0809. Variability is observed in the 7 keV iron K-shell absorption line (at 7.6 keV in the quasar frame), which is significantly weaker in 2005 than during the 2001 XMM-Newton observation. From a recombination timescale of <4 years, this implies an absorber density n>0.004 particles/cm3, while the absorber column is 5e2213A, if a=2.750A) and c/a=11 (c>31A) can be experimentally achieved, respectively. For the new FeSe series, our mechanism predicts that their T_{c}^{\max} is impossible to exceed 30 K due to a relatively shorter c-axis lattice constant (c/a=2). Finally, based on the new experimental results (arXiv:0811.0094 and arXiv:0811.2205), the possible ways to raise the Tc of the iron-based superconductors into 70 K are also suggested.",0808.4093v3 2008-09-01,Spin Fluctuation Dynamics and Multiband Superconductivity in Iron Pnictides,"Multiband superconductivity, involving resonant pair scattering between different bands, has emerged as a possible explanation of some of the main characteristics of the recently discovered iron pnictides. A key feature of such interband pairing mechanism is that it can generate or enhance superconducting pairing irrespective of whether it is attractive or repulsive. The latter case typically leads to the superconducting gap switching its sign among different sections of the Fermi surface. In iron pnictides, the natural scenario is that the gap changes sign between the hole and the electron Fermi surfaces. However, the macroscopic symmetry of such an extended s'-wave state still belongs to the general s-wave category, raising the question of how to distinguish it from an ordinary s-wave. In such a quest, it is essential to use experimental techniques that have a momentum space resolution and can probe momenta of order M, the wavevector that separates the hole and the electron Fermi surfaces in the Brillouin zone. Here we study experimental signatures in the spin fluctuation dynamics of the fully-gapped s- and s'-wave superconducting states, as well as those of the nodal d- and p-wave. The coupling between spin fluctuations of the incipient nearly-nested spin density-wave (SDW) and the Bogoliubov-deGennes quasiparticles of the superconducting state leads to the Landau-type damping of the former. The intrinsic structure of the superconducting gap leaves a distinctive signature in the form of this damping, allowing it to be used to diagnose the nature of iron-based superconductivity in neutron scattering and other experiments sensitive to spin fluctuations in momentum space. We also discuss the coexistence between superconductivity and SDW order.",0809.0014v1 2008-10-15,A Large Iron Isotope Effect in SmFeAsO1-xFx and Ba1-xKxFe2As2,"The recent discovery of superconductivity in oxypnictides with the critical temperature (TC) higher than McMillan limit of 39 K (the theoretical maximum predicted by Bardeen-Cooper-Schrieffer (BCS) theory) has generated great excitement. Theoretical calculations indicate that the electron-phonon interaction is not strong enough to give rise to such high transition temperatures, while strong ferromagnetic/antiferromagnetic fluctuations have been proposed to be responsible. However, superconductivity and magnetism in pnictide superconductors show a strong sensitivity to the lattice, suggesting a possibility of unconventional electron-phonon coupling. Here we report the effect of oxygen and iron isotopic mass on Tc and the spin-density wave (SDW) transition temperature (TSDW) in SmFeAsO1-xFx and Ba1-xKxFe2As2 systems. The results show that oxygen isotope effect on TC and TSDW is very little, while the iron isotope exponent alpha=-dlnTc/dlnM is about 0.35, being comparable to 0.5 for the full isotope effect. Surprisingly, the iron isotope exchange shows the same effect on TSDW as TCc These results indicate that electron-phonon interaction plays some role in the superconducting mechanism, but simple electron-phonon coupling mechanism seems to be rather unlikely because a strong magnon-phonon coupling is included. Sorting out the interplay between the lattice and magnetic degrees of freedom is a key challenge for understanding the mechanism of high-TC superconductivity.",0810.2694v2 2009-01-12,Electrodynamics in Iron and Steel,"In order to calculate the reflected EM fields at low amplitudes in iron and steel, more must be understood about the nature of long wavelength excitations in these metals. A bulk piece of iron is a very complex material with microstructure, a split band structure, magnetic domains and crystallographic textures that affect domain orientation. Probing iron and other bulk ferromagnetic materials with weak reflected and transmitted inductive low frequency fields is an easy operation to perform but the responses are difficult to interpret because of the complexity and variety of the structures affected by the fields. First starting with a simple single coil induction measurement and classical EM calculation to show the error is grossly under estimating the measured response. Extending this experiment to measuring the transmission of the induced fields allows the extraction of three dispersion curves which define these internal fields. One dispersion curve yielded an exceedingly small effective mass of 1.8 10^{-39}kg (1.3 10^{-9} m_e) for those spin waves. There is a second distinct dispersion curve more representative of the density function of a zero momentum bound state rather than a propagating wave. The third dispersion curve describes a magneto-elastic coupling to a very long wave length propagating mode. These experiments taken together display the characteristics of a high temperature Bose-Einstein like condensation that can be initiated by pumping two different states. A weak time dependent field drives the formation of coupled J=0 spin wave pairs with the reduced effective mass reflecting the increased size of the coherent state. These field can dominate induction measurements well past the Curie temperature.",0901.1631v2 2009-03-16,Spin Waves and Magnetic Exchange Interactions in CaFe2As2,"Antiferromagnetism is relevant to high temperature (high-Tc) superconductivity because copper oxide and iron arsenide high-Tc superconductors arise from electron- or hole-doping of their antiferromagnetic (AF) ordered parent compounds. There are two broad classes of explanation for the phenomenon of antiferromagnetism: in the local moment picture, appropriate for the insulating copper oxides, AF interactions are well described by a Heisenberg Hamiltonian; while in the itinerant model, suitable for metallic chromium, AF order arises from quasiparticle excitations of a nested Fermi surface. There has been contradictory evidence regarding the microscopic origin of the AF order in iron arsenide materials, with some favoring a localized picture while others supporting an itinerant point of view. More importantly, there has not even been agreement about the simplest effective ground state Hamiltonian necessary to describe the AF order. Here we report inelastic neutron scattering mapping of spin-wave excitations in CaFe2As2, a parent compound of the iron arsenide family of superconductors. We find that the spin waves in the entire Brillouin zone can be described by an effective three-dimensional local moment Heisenberg Hamiltonian, but the large in-plane anisotropy cannot. Therefore, magnetism in the parent compounds of iron arsenide superconductors is neither purely local nor purely itinerant; rather it is a complicated mix of the two.",0903.2686v1 2009-04-02,The layered iron arsenides Sr2CrO3FeAs and Ba2ScO3FeAs,"Polycrystalline samples of the layered iron arsenides Sr2CrO3FeAs and Ba2ScO3FeAs were synthesized by high temperature solid state reactions and their crystal structures determined by the X-ray powder diffraction. Their structures are tetragonal (P4/nmm; Sr2CrO3FeAs: a = 391.12(1) pm, c = 1579.05(3) pm; Ba2ScO3FeAs: a = 412.66(5) pm, c = 1680.0(2) pm, Z = 2) and isotypic to Sr2ScO3CuS. Iron arsenide layers are sandwiched between perowskite-like oxide blocks and separated by ~1600 pm, which is much larger compared to the 1111 iron arsenide superconductors. The bond length and angles within the FeAs layers are adapted to the space requirements of the oxide blocks. Measurements of the magnetic susceptibility and electrical resistivity show no hint for a SDW-like anomaly in both compounds. Sr2CrO3FeAs shows Curie-Weiss paramagnetism above 160 K with an effective magnetic moment of 3.83(3) muB in good agreement with the theoretical value of 3.87 muB for Cr3+. Antiferromagnetic ordering was detected below TN ~ 31 K. 57Fe Moessbauer spectra of Sr2CrO3FeAs show a single signal that broadens below the magnetic ordering temperature due to a small transferred hyperfine field induced by the magnetic ordering of the chromium atoms. 57Fe-Moessbauer spectra of Ba2ScO3FeAs show single signals at 298, 77, and 4.2 K which are only subject to weak quadrupole splitting.",0904.0479v2 2009-05-21,Integer and half-integer flux-quantum transitions in a niobium/iron-pnictide loop,"The recent discovery of iron-based superconductors challenges the existing paradigm of high-temperature superconductivity. Owing to their unusual multi-orbital band structure, magnetism, and electron correlation, theories propose a unique sign reversed s-wave pairing state, with the order parameter changing sign between the electron and hole Fermi pockets. However, because of the complex Fermi surface topology and material related issues, the predicted sign reversal remains unconfirmed. Here we report a novel phase-sensitive technique for probing unconventional pairing symmetry in the polycrystalline iron-pnictides. Through the observation of both integer and half-integer flux-quantum transitions in composite niobium/iron-pnictide loops, we provide the first phase-sensitive evidence of the sign change of the order parameter in NdFeAsO0.88F0.12, lending strong support for microscopic models predicting unconventional s-wave pairing symmetry. These findings have important implications on the mechanism of pnictide superconductivity, and lay the groundwork for future studies of new physics arising from the exotic order in the FeAs-based superconductors.",0905.3571v2 2009-05-25,A double stellar generation in the Globular Cluster NGC6656 (M 22). Two stellar groups with different iron and s-process element abundance,"AIMS. In this paper we present the chemical abundance analysis from high resolution UVES spectra of seventeen bright giant stars of the Globular Cluster M~22. RESULTS. We obtained an average iron abundance of [Fe/H]=-1.76\pm0.02 (internal errors only) and an \alpha enhancement of 0.36\pm0.04 (internal errors only). Na and O, and Al and O follow the well known anti-correlation found in many other GCs. We identified two groups of stars with significantly different abundances of the s-process elements Y, Zr and Ba. The relative numbers of the two group members are very similar to the ratio of the stars in the two SGBs of M22 recently found by Piotto (2009). Y and Ba abundances do not correlate with Na, O and Al. The s-element rich stars are also richer in iron and have higher Ca abundances. The results from high resolution spectra have been further confirmed by lower resolution GIRAFFE spectra of fourteen additional M22 stars. GIRAFFE spectra show also that the Eu -- a pure r-process element -- abundance is not related to the iron content. We discuss the chemical abundance pattern of M22 stars in the context of the multiple stellar populations in GC scenario.",0905.4058v1 2009-06-29,A novel wear-resistant magnetic thin film material based on a $Ti_{1-x}Fe_xC_{1-y}$ nanocomposite alloy,"In this study we report on the film growth and characterization of thin (approximately 50 nm thick) Ti-Fe-C films deposited on amorphous quartz. The experimental studies have been complemented by first principles density functional theory (DFT) calculations. Upon annealing of as-prepared films, the composition of the metastable Ti-Fe-C film changes. An iron-rich phase is first formed close to the film surface, but with increasing annealing time this phase is gradually displaced toward the film-substrate interface where its position stabilizes. Both the magnetic ordering temperature and the saturation magnetization changes significantly upon annealing. The DFT calculations show that the critical temperature and the magnetic moment both increase with increasing Fe and C-vacancy concentration. The formation of the metastable iron-rich Ti-Fe-C compound is reflected in the strong increase of the magnetic ordering temperature. Eventually, after enough annealing time ($\geq 10$ minutes), nano-crystalline $\alpha$-Fe starts to precipitate and the amount and size of these precipitates can be controlled by the annealing procedure; after 20 minutes of annealing, the experimental results indicate a nano-crystalline iron-film embedded in a wear resistant TiC compound. This conclusion is further supported by transmission electron microscopy studies on epitaxial Ti-Fe-C films deposited on single crystalline MgO substrates where, upon annealing, an iron film embedded in TiC is formed. Our results suggest that annealing of metastable Ti-Fe-C films can be used as an efficient way of creating a wear-resistant magnetic thin film material.",0906.5386v1 2009-09-02,A homogeneous spectroscopic analysis of host stars of transiting planets,"The analysis of transiting extra-solar planets provides an enormous amount of information about the formation and evolution of planetary systems. A precise knowledge of the host stars is necessary to derive the planetary properties accurately. The properties of the host stars, especially their chemical composition, are also of interest in their own right. Information about planet formation is inferred by, among others, correlations between different parameters such as the orbital period and the metallicity of the host stars. The stellar properties studied should be derived as homogeneously as possible. The present work provides new, uniformly derived parameters for 13 host stars of transiting planets. Effective temperature, surface gravity, microturbulence parameter, and iron abundance were derived from spectra of both high signal-to-noise ratio and high resolution by assuming iron excitation and ionization equilibria. For some stars, the new parameters differ from previous determinations, which is indicative of changes in the planetary radii. A systematic offset in the abundance scale with respect to previous assessments is found for the TrES and HAT objects. Our abundance measurements are remarkably robust in terms of the uncertainties in surface gravities. The iron abundances measured in the present work are supplemented by all previous determinations using the same analysis technique. The distribution of iron abundance then agrees well with the known metal-rich distribution of planet host stars. To facilitate future studies, the spectroscopic results of the current work are supplemented by the findings for other host stars of transiting planets, for a total dataset of 50 objects.",0909.0285v1 2009-10-20,The Distribution and Cosmic Density of Relativistic Iron Lines in Active Galactic Nuclei,"X-ray observations of several active galactic nuclei show prominent iron K-shell fluorescence lines that are sculpted due to special and general relativistic effects. These observations are important because they probe the space-time geometry close to distant black holes. However, the intrinsic distribution of Fe line strengths in the cosmos has never been determined. This uncertainty has contributed to the controversy surrounding the relativistic interpretation of the emission feature. Now, by making use of the latest multi-wavelength data, we show theoretical predictions of the cosmic density of relativistic Fe lines as a function of their equivalent width and line flux. We are able to show unequivocally that the most common relativistic iron lines in the universe will be produced by neutral iron fluorescence in Seyfert galaxies and have equivalent widths < 100 eV. Thus, the handful of very intense lines that have been discovered are just the bright end of a distribution of line strengths. In addition to validating the current observations, the predicted distributions can be used for planning future surveys of relativistic Fe lines. Finally, the predicted sky density of equivalent widths indicate that the X-ray source in AGNs can not, on average, lie on the axis of the black hole.",0910.3947v1 2010-03-09,A comparison of hard X-ray photon indices and iron \ka emission lines in X-ray luminous narrow- and broad-line Seyfert 1 galaxies,"We use publicly available XMM-Newton data to systematically compare the hard X-ray photon indices, $\Gamma_{\rm 2-10\ keV}$ and the iron K$\alpha$ emission lines of narrow-line (NL) and broad-line Seyfert 1 (BLS1) galaxies. We compile a flux-limited ($f_{\rm 2-10\ keV} \geq 1 \times 10^{-12}$ erg s$^{-1}$ cm$^{-2}$) sample including 114 radio-quiet objects, with the 2-10 keV luminosity ranging from 10$^{41}$ to 10$^{45}$ erg s$^{-1}$. Our main results are: 1) NLS1s and BLS1s show similar luminosity distributions; 2) The weighted mean of $\Gamma_{\rm 2-10\ keV}$ of NLS1s, BLS1s and the total sample is $2.04\pm0.04$, $1.74\pm0.02$, $1.84\pm0.02$, respectively; a significant anti-correlation between \ga and FWHMH$\beta$ suggests that $\Gamma_{\rm 2-10\ keV} > 2.0$ may be taken to indicate X-ray luminous NLS1 type; 3) The 6.4 keV narrow iron K$\alpha$ lines from NLS1s are generally weaker than that from BLS1s; this would indicate a smaller covering factor of the dusty tori in NLS1s, if the line emission originates from the inner boundary region of the dusty torus in an AGN; 4) all the broadened iron K$\alpha$ lines with intrinsic width $\sigma>0.5$ keV correspond to FWHM\hb $\leq 4000 ~\kms$.",1003.1772v2 2010-04-08,The final verdict by XMM-Newton: the X-ray obscured Seyfert galaxy NGC5506 has a broad Fe K-alpha line,"We present the first unambiguous evidence of a broad (Gaussian width ~330 eV) component of the iron K-alpha fluorescent emission line in the X-ray obscured Narrow Line Seyfert 1 Galaxy NGC5506. This is the main results of a spectroscopic monitoring campaign on this source performed with the XMM-Newton observatory between February 2001 and January 2009. The broad line lacks extreme redwards skewness. If modelled with a relativistic component, the profile of the line is consistent with a flat emissivity radial dependence (alpha~1.9). The disk inclination (~40 degrees) is nominally larger then typically observed in unobscured AGN, in agreement with most measurements of broadened iron lines in Seyfert 2 galaxies. The quality of the data allows us to decompose the full iron emission line complex, and to study its long-term (timescales of weeks to years) variability pattern. The intensity of the neutral and narrow iron K-alpha core remains constant during the monitoring campaign. This indicates that the optically thick gas responsible for the non-relativistic reprocessing of the primary AGN continuum in NGC5506 is probably located in the torus rather than in the optical Broad Line Region.",1004.1442v1 2010-06-11,Mott Transition in Multi-Orbital Models for Iron Pnictides,"The bad-metal behavior of the iron pnictides has motivated a theoretical description in terms of a proximity to Mott localization. Since the parent compounds of the iron pnictides contain an even number of 3d-electrons per Fe, it is important to determine whether a Mott transition robustly exists and the nature of the possible Mott insulating phases. We address these issues in a minimal two-orbital model and a more realistic four-orbital model for the parent iron pnictides using a slave-spin approach. In the two-orbital model with two electrons per Fe, we identify a transition from metal to Mott insulator. The critical coupling, $U_c$, is greatly reduced by the Hund's coupling. Depending on the ratio between the inter- and intra-orbital Coulomb repulsions, the insulating state can be either a spin-Mott insulator or an orbital-Mott insulator. In the four-orbital model with four electrons per Fe, we find an orbitally selective metal-to-insulator transition in the case of zero Hund's coupling; the transition to a Mott insulator in the $xz$ and $yz$ orbitals takes place at the same critical coupling as the transition to a band insulator in the $xy$ and $x^2-y^2$ orbitals. In the presence of a finite Hund's coupling, however, the localization transition is into a spin-Mott state.",1006.2337v3 2010-07-29,Looking into the inner black hole accretion disc with relativistic models of iron line,"We discuss black hole spin measurements employing the relativistic iron line profiles in the X-ray domain. We investigate the iron line band for two representative sources -- MCG -6-30-15 (active galaxy) and GX 339-4 (X-ray binary). We compare two models of the broad iron line, LAOR and KYRLINE. We realise that the spin is currently determined entirely from the position of the marginally stable orbit while the effect of the spin on the overall line shape would be resolvable with higher resolution X-ray missions. We show that the precision of the spin measurements depends on an unknown angular distribution of the disc emission. We study how sensitive the spin determination is to the assumptions about the intrinsic angular distribution of the emitted photons. We find that the uncertainty of the directional emission distribution translates to 20% uncertainty in the determination of the radius of marginally stable orbit. We perform radiation transfer computations of an X-ray irradiated disc atmosphere (NOAR code) to determine the directionality of outgoing X-rays in the 2-10 keV energy band. Based on these computations, we find that from the simple formulae for the directionality, the isotropic case reproduces the simulated data with the best accuracy. The most frequently used limb-darkening law favours higher values of spin and, in addition, a steeper radial emissivity profile. Furthermore, we present a spectral analysis of an XMM-Newton observation of a Seyfert 1.5 galaxy IRAS 05078+1626 being the first X-ray spectroscopic study of this source. The lack of the significant relativistic blurring of the reflection model component suggests the accretion disc to be truncated at a farther radius.",1007.5196v2 2010-08-16,Pulse-phase resolved spectroscopy of continuum and reflection in SAX J1808.4-3658,"We perform phase-resolved spectroscopy of the accreting millisecond pulsar, SAX J1808.4-3658, during the slow-decay phase of the 2002 outburst. Simple phenomenological fits to RXTE PCA data reveal a pulsation in the iron line at the spin frequency of the neutron star. However, fitting more complex spectral models reveals a degeneracy between iron-line pulsations and changes in the underlying hotspot blackbody temperature with phase. By comparing with the variations in reflection continuum, which are much weaker than the iron line variations, we infer that the iron-line is not pulsed. The observed spectral variations can be explained by variations in blackbody temperature associated with rotational Doppler shifts at the neutron star surface. By allowing blackbody temperature to vary in this way, we also find a larger phase-shift between the pulsations in the Comptonised and blackbody components than has been seen in previous work. The phase-shift between the pulsation in the blackbody temperature and normalisation is consistent with a simple model where the Doppler shift is maximised at the limb of the neutron star, ~90 degrees prior to maximisation of the hot-spot projected area.",1008.2708v2 2011-04-04,Interplay between magnetism and superconductivity in iron-chalcogenide superconductors: crystal growth and characterizations,"In this review, we present a summary of the results on single crystal growth of two types of iron-chalcogenide superconductors, Fe(1+y)Te(1-x)Se(x) (11), and A(x)Fe(2-y)Se(2) (A= K, Rb, Cs, Tl, Tl/K, Tl/Rb), using Bridgman, zone-melting, vapor self-transport, and flux techniques. The superconducting and magnetic properties (the latter gained mainly from neutron scattering measurements) of these materials are reviewed to demonstrate the connection between magnetism and superconductivity. It will be shown that for the 11 system, while static magnetic order around the reciprocal lattice position (0.5, 0) competes with superconductivity, spin excitations centered around (0.5, 0.5) are closely coupled to the materials' superconductivity; this is made evident by the strong correlation between the spectral weight around (0.5, 0.5) and the superconducting volume fraction. The observation of a spin resonance below the superconducting temperature, Tc, and the magnetic-field dependence of the resonance, emphasize the important role spin excitations play in the superconductivity. Generally, these results illustrate the similarities between the iron-based and cuprate superconductors. In A(x)Fe(2-y)Se(2), superconductivity with Tc ~ 30 K borders an antiferromagnetic insulating phase; this is closer to the behavior observed in the cuprates but differs from that in other iron-based superconductors.",1104.0695v2 2011-04-18,Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides,"The iron pnictide and chalcogenide compounds are a subject of intensive investigations due to their high temperature superconductivity.\cite{a-LaFeAsO} They all share the same structure, but there is significant variation in their physical properties, such as magnetic ordered moments, effective masses, superconducting gaps and T$_c$. Many theoretical techniques have been applied to individual compounds but no consistent description of the trends is available \cite{np-review}. We carry out a comparative theoretical study of a large number of iron-based compounds in both their magnetic and paramagnetic states. We show that the nature of both states is well described by our method and the trends in all the calculated physical properties such as the ordered moments, effective masses and Fermi surfaces are in good agreement with experiments across the compounds. The variation of these properties can be traced to variations in the key structural parameters, rather than changes in the screening of the Coulomb interactions. Our results provide a natural explanation of the strongly Fermi surface dependent superconducting gaps observed in experiments\cite{Ding}. We propose a specific optimization of the crystal structure to look for higher T$_c$ superconductors.",1104.3454v1 2011-04-26,Electronic and magnetic phase diagram in K$_x$Fe$_{2-y}$Se$_2$ superconductors,"The correlation and competition between antiferromagnetism and superconductivity are one of the most fundamental issues in all of high temperature superconductors. The superconductivity in high temperature cuprate superconductors arises from suppressing an antiferromagnetic (AFM) Mott insulator phase by doping1 while that in iron-pnictide high temperature superconductors arises from AFM semimetals and can coexist with AFM orders2-9. This key difference marked in their phase diagrams has raised many intriguing debates about whether the two materials can be placed in the same category to understand the mechanism of superconductivity. Recently, superconductivity at 32 K has been reported in iron-chalcogenide superconductors AxFe2-ySe2 (A=K, Rb, and Cs)10-12, which have the same structure as that of iron-pnictide AFe2As2 (A=Ba, Sr, Ca and K)13-15. Here, we report electronic and magnetic phase diagram of KxFe2-ySe2 system as a function of Fe valence. We find two AFM insulating phases and reveal that the superconducting phase is sandwiched between them, and give direct evidence that the superconductivity in AxFe2-ySe2 originates from the AFM insulating parent compounds. The two insulating phases are characterized by two distinct superstructures caused by Fe vacancy orders with modulation wave vectors of q1=(1/5, 3/5, 0) and q2=(1/4, 3/4, 0), respectively. These experimental results strongly indicate that iron-based superconductors and cuprates share a common origin and mechanism of superconductivity.",1104.4941v1 2011-05-13,First Principles Calculations of Defects in Unstable Crystals: Austenitic Iron,"First principles calculations have given a new insight into the energies of point defects in many different materials, information which cannot be readily obtained from experiment. Most such calculation are done at zero Kelvin, with the assumption that finite temperature effects on defect energies and barriers are small. In some materials, however, the stable crystal structre of interest is mechanically unstable at 0K. In such cases, alternate approaches are needed. Here we present results of first principles calculations of austenitic iron using the VASP code. We determine an appropriate reference state for collinear magnetism to be the antiferromagnetic double-layer (AFM-d) which is both stable and lower in energy than other possible models for the low temperature limit of paramagnetic fcc iron. We then consider the energetics of dissolving typical alloying impurities (Ni, Cr) in the materials, and their interaction with point defects typical of the irradiated environment. We show that using standard methods there is a very strong dependence of calculated defect formation energies on the reference state chosen. Furthermore, there is a correlation between local free volume magnetism and energetics. The effect of substitutional Ni and Cr on defect properties is weak, rarely more than tenths of eV, so it is unlikely that small amounts of Ni and Cr will have a significant effect on the radiation damage in austenitic iron at high temperatures.",1105.2663v1 2011-05-16,On the apparent absence of broad iron lines in Seyfert galaxies,"We present an analysis of XMM-Newton observations of eleven Seyfert galaxies that appear to be missing a broad iron K alpha line. These objects represent a challenge to the established paradigm for active galactic nuclei, where a relatively cold accretion disc feeds the central black hole. In that paradigm, X-ray illumination of the accretion disc should lead to continuum and fluorescence emission from iron which is broadened and shifted by relativistic effects close the hole. We extend the work of Nandra et al. (2007), who found no evidence for such a component in an earlier analysis of these objects, by testing a variety of more complex relativistic reflection models. Specifically, we consider the possibility that the disc is highly ionised, and/or that the the reflection is heavily blurred by strong relativistic effects in a Kerr geometry. We find that in 8/11 of the observations with no apparent broad iron line, the fit is significantly improved when an ionised or strongly blurred reflector is included, and that all 11 observations allow for such a component. The disc inclinations are found generally to be around 60 degrees, which when combined with a steep emissivity profile results in strong relativistic blurring of the reflection, rendering the K alpha line difficult to distinguish from the underlying continuum. Nevertheless, relativistic reflection does appear to be present, and the strength of the smeared reflection is similar to that expected from a flat disc illuminated by a point source. Such blurred reflection and the associated steep radial emissivity profiles are consistent with the gravitational light bending of the continuum photons close to the black hole.",1105.3065v1 2011-07-26,Interplay between magnetism and superconductivity in EuFe(2-x)Co(x)As2 studied by 57Fe and 151Eu Mössbauer spectroscopy,"The compound EuFe(2-x)Co(x)As2 was investigated by means of the 57Fe and 151Eu Moessbauer spectroscopy versus temperature (4.2 - 300 K) for x=0 (parent), x=0.34 - 0.39 (superconductor) and x=0.58 (overdoped). It was found that spin density wave (SDW) is suppressed by Co-substitution, however it survives in the region of superconductivity, but iron spectra exhibit some non-magnetic component in the superconducting region. Europium orders anti-ferromagnetically regardless of the Co concentration with the spin re-orientation from the a-axis in the parent compound toward c-axis with the increasing replacement of iron by cobalt. The re-orientation takes place close to the a-c plane. Some trivalent europium appears in EuFe(2-x)Co(x)As2 versus substitution due to the chemical pressure induced by Co-atoms and it experiences some transferred hyperfine field from Eu2+. Iron experiences some transferred field due to the europium ordering for substituted samples in the SDW and non-magnetic state both, while the transferred field is undetectable in the parent compound. Superconductivity coexists with the 4f-europium magnetic order within the same volume. It seems that superconductivity has some filamentary character in EuFe(2-x)Co(x)As2 and it is confined to the non-magnetic component seen by the iron Moessbauer spectroscopy.",1107.5271v2 2011-07-26,Superconductivity up to 35 K in the iron-platinum arsenides (CaFe1-xPtxAs)10Pt4-yAs8 with layered structures,"We report the synthesis and crystal structures of three new superconducting iron-platinum arsenides (CaFe1-xPtxAs)10Pt4-yAs8 (x = 0-0.15, y = 0-0.4). The structures are stacking variants of FeAs- and slightly puckered Pt4-yAs8-layers with square coordinated platinum separated by calcium-layers, respectively. Arsenic atoms in the Pt4-yAs8-layers form (As2)4- dumbbells according to Zintl's concept, providing charge balance in (Ca2+Fe2+As3-)10(Pt2+)3[(As2)4-]4. Superconductivity was observed at 13-35 K. We suggest that the highest Tc above 30 K occurs in the 1048 phase with clean FeAs-layers that are indirectly electron-doped according to (Ca2+Fe2+As3-)10(Pt2+)4[(As2)4-]4*2e-. We also suggest that the lower critical temperatures occur in the 1038- and a-1048 phases due to Pt-doping at the Fe-site. DFT band structure calculations indicate that the contribution of the Pt4-yAs8-layers to the Fermi surface is small and that the Fermi energy is slightly either below or above a quasi-gap in the Pt-states. The new platinum-iron compounds represent the first iron-based superconductors with so far unknown structure types and can serve as a new platform for further studies that go beyond the known systems.",1107.5320v1 2011-08-02,Weak-interaction mediated rates on iron isotopes for presupernova evolution of massive stars,"During the presupernova evolution of massive stars, the isotopes of iron, $^{54,55,56}$Fe, are advocated to play a key role inside the cores primarily decreasing the electron-to-baryon ratio ($Y_{e}$) mainly via electron capture processes thereby reducing the pressure support. Electron decay and positron capture on $^{55}$Fe, on the other hand, also has a consequential role in increasing the lepton ratio during the silicon burning phases of massive stars. The neutrinos and antineutrinos produced, as a result of these weak-interaction reactions, are transparent to the stellar matter and assist in cooling the core thereby reducing the entropy. The structure of the presupernova star is altered both by the changes in $Y_{e}$ and the entropy of the core material. The aim of this paper is to report the improved microscopic calculation of Gamow-Teller (GT$_{\pm}$) strength distributions of these key isotopes of iron using the pn-QRPA theory. The main improvement comes from the incorporation of experimental deformation values for these nuclei. Additionally six different weak-interaction rates, namely electron & positron capture, electron & positron decay, and, neutrino & antineutrino cooling rates, were also calculated in presupernova matter. The calculated electron capture and neutrino cooling rates due to isotopes of iron are in good agreement with the large-scale shell model (LSSM) results. The calculated beta decay rates, however, are suppressed by three to five orders of magnitude.",1108.0507v1 2011-08-24,Energy spectra of primary and secondary cosmic-ray nuclei measured with TRACER,"The TRACER cosmic-ray detector, first flown on long-duration balloon (LDB) in 2003 for observations of the major primary cosmic-ray nuclei from oxygen (Z=8) to iron (Z=26), has been upgraded to also measure the energies of the lighter nuclei, including the secondary species boron (Z=5). The instrument was used in another LDB flight in 2006. The properties and performance of the modified detector system are described, and the analysis of the data from the 2006 flight is discussed. The energy spectra of the primary nuclei carbon (Z=6), oxygen, and iron over the range from 1 GeV amu$^{-1}$ to 2 TeV amu$^{-1}$ are reported. The data for oxygen and iron are found to be in good agreement with the results of the previous TRACER flight. The measurement of the energy spectrum of boron also extends into the TeV amu$^{-1}$ region. The relative abundances of the primary nuclei, such as carbon, oxygen, and iron, above $\sim10$ GeV amu$^{-1}$ are independent of energy, while the boron abundance, i.e. the B/C abundance ratio, decreases with energy as expected. However, there is an indication that the previously reported $E^{-0.6}$ dependence of the B/C ratio does not continue to the highest energies.",1108.4838v1 2011-10-10,X-ray Diagnostics of Giant Molecular Clouds in the Galactic Center Region and Past Activity of Sgr A*,"Strong iron fluorescence at 6.4 keV and hard-X-ray emissions from giant molecular clouds in the Galactic center region have been interpreted as reflections of a past outburst of the Sgr A* supermassive black hole. Careful treatment of multiple interactions of photons in a complicated geometry is essential to modeling the reprocessed emissions from the dense clouds. We develop a new calculation framework of X-ray reflection from molecular clouds based on Monte Carlo simulations for accurate interpretation of high-quality observational data. By utilizing this simulation framework, we present the first calculations of morphologies and spectra of the reflected X-ray emission for several realistic models of Sgr B2, which is the most massive molecular cloud in our Galaxy. The morphology of scattered hard X-rays above 20 keV is significantly different from that of iron fluorescence due to their large penetrating power into dense regions of the cloud, probing the structure of the cloud. High-resolution spectra provide quantitative evaluation of the iron line including its Compton shoulder to constrain the mass and the chemical composition of the cloud as well as the luminosity of the illuminating source. These predictions can be checked in the near future with future X-ray missions such as NuStar (hard X-rays) and ASTRO-H (both iron lines and hard X-rays).",1110.1936v1 2011-10-12,Reemerging superconductivity at 48 K across quantum criticality in iron chalcogenides,"Pressure plays an essential role in the induction1 and control2,3 of superconductivity in iron-based superconductors. Substitution of a smaller rare-earth ion for the bigger one to simulate the pressure effects has surprisingly raised the superconducting transition temperature Tc to the record high 55 K in these materials4,5. However, Tc always goes down after passing through a maximum at some pressure and the superconductivity eventually tends to disappear at sufficiently high pressures1-3. Here we show that the superconductivity can reemerge with a much higher Tc after its destruction upon compression from the ambient-condition value of around 31 K in newly discovered iron chalcogenide superconductors. We find that in the second superconducting phase the maximum Tc is as high as 48.7 K for K0.8Fe1.70Se2 and 48 K for (Tl0.6Rb0.4)Fe1.67Se2, setting the new Tc record in chalcogenide superconductors. The presence of the second superconducting phase is proposed to be related to pressure-induced quantum criticality. Our findings point to the potential route to the further achievement of high-Tc superconductivity in iron-based and other superconductors.",1110.2600v3 2011-11-02,Structural quantum criticality and superconductivity in iron-based superconductor Ba(Fe1-xCox)2As2,"We investigated the elastic properties of the iron-based superconductor Ba(Fe1-xCox)2As2 with eight Co concentrations. The elastic constant C66 shows large elastic softening associated with the structural phase transition. The C66 was analyzed base on localized and itinerant pictures of Fe-3d electrons, which shows the strong electron-lattice coupling and a possible mass enhancement in this system. The results resemble those of unconventional superconductors, where the properties of the system are governed by the quantum fluctuations associated with the zero-temperature critical point of the long-range order; namely, the quantum critical point (QCP). In this system, the inverse of C66 behaves just like the magnetic susceptibility in the magnetic QCP systems. While the QCPs of these existing superconductors are all ascribed to antiferromagnetism, our systematic studies on the canonical iron-based superconductor Ba(Fe1-xCox)2As2 have revealed that there is a signature of ""structural quantum criticality"" in this material, which is so far without precedent. The elastic constant anomaly is suggested to concern with the emergence of superconductivity. These results highlight the strong electron-lattice coupling and effect of the band in this system, thus challenging the prevailing scenarios that focus on the role of the iron 3d-orbitals.",1111.0366v1 2011-12-05,Pairing symmetries of several families of iron-based superconductors and some similarities with cuprates and heavy-fermions,"We show that, by using unit-cell transformation between 1 Fe per unit cell to 2 Fe per unit cell, one can qualitatively understand the pairing symmetry of several families of iron-based superconductors. In iron-pnictides and iron-chalcogenides, the nodeless s+- pairing and the resulting magnetic resonance mode transform nicely between the two unit cells, while retaining all physical properties unchanged. However, when the electron-pocket disappears from the Fermi surface with complete doping in KFe2As2, we find that the unit-cell invariant requirement prohibits the occurrence of s+- pairing symmetry (caused by inter-hole-pocket nesting). However, the intra-pocket nesting is compatible here, which leads to a nodal d-wave pairing. The corresponding Fermi surface topology and the pairing symmetry are similar to Ce-based heavy-fermion superconductors. Furthermore, when the Fermi surface hosts only electron-pockets in KyFe2-xSe2, the inter-electron-pocket nesting induces a nodeless and isotropic d-wave pairing. This situation is analogous to the electron-doped cuprates, where the strong antiferromagnetic order creates similar disconnected electron-pocket Fermi surface, and hence nodeless d-wave pairing appears. The unit-cell transformation in KyFe2-xSe2 exhibits that the d-wave pairing breaks the translational symmetry of the 2 Fe unit cell, and thus cannot be realized unless a vacancy ordering forms to compensate for it. These results are consistent with the coexistence picture of a competing order and nodeless d-wave superconductivity in both cuprates and KyFe1.6Se2.",1112.1004v1 2012-02-29,Muon Background Reduction in CLIC,"We report on a study concerning the reduction of muon backgrounds in CLIC using magnetised iron.",1202.6628v1 2012-03-30,The role of different negatively charged layers in Ca10(Fe1-xPtxAs)10(Pt3+yAs8) and superconductivity at 30 K in electron-doped (Ca0.8La0.2)10(FeAs)10(Pt3As8),"The recently discovered compounds Ca10(Fe1-xPtxAs)10(Pt3+yAs8) exhibit superconductivity up to 38 K, and contain iron arsenide (FeAs) and platinum arsenide (Pt3+yAs8) layers separated by layers of Ca atoms. We show that high Tc's above 15 K only emerge if the iron-arsenide layers are at most free of platinum-substitution (x \rightarrow 0) in contrast to recent reports. In fact Pt-substitution is detrimental to higher Tc, which increases up to 38 K only by charge doping of pure FeAs layers. We point out, that two different negatively charged layers [(FeAs)10]n- and (Pt3+yAs8)m- compete for the electrons provided by the Ca2+ ions, which is unique in the field of iron-based superconductors. In the parent compound Ca10(FeAs)10(Pt3As8), no excess charge dopes the FeAs-layer, and superconductivity has to be induced by Pt-substitution, albeit below 15 K. In contrast, the additional Pt-atom in the Pt4As8layer shifts the charge balance between the layers equivalent to charge doping by 0.2 electrons per FeAs. Only in this case Tc raises to 38 K, but decreases again if additionally platinum is substituted for iron. This charge doping scenario is supported by our discovery of superconductivity at 30 K in the electron-doped La-1038 compound (Ca0.8La0.2)10(FeAs)10(Pt3As8) without significant Pt-substitution.",1203.6767v1 2012-04-11,"Strong pairing at iron $3d_{xz,yz}$ orbitals in hole-doped BaFe$_2$As$_2$","Among numerous hypotheses, recently proposed to explain superconductivity in iron-based superconductors [1-9], many consider Fermi surface (FS) nesting [2, 4, 8, 10] and dimensionality [4, 9] as important contributors. Precise determination of the electronic spectrum and its modification by superconductivity, crucial for further theoretical advance, were hindered by a rich structure of the FS [11-17]. Here, using the angle-resolved photoemission spectroscopy (ARPES) with resolution of all three components of electron momentum and electronic states symmetry, we disentangle the electronic structure of hole-doped BaFe2As2, and show that nesting and dimensionality of FS sheets have no immediate relation to the superconducting pairing. Alternatively a clear correlation between the orbital character of the electronic states and their propensity to superconductivity is observed: the magnitude of the superconducting gap maximizes at 10.5 meV exclusively for iron 3dxz;yz orbitals, while for others drops to 3.5 meV. Presented results reveal similarities of electronic response to superconducting and magneto-structural transitions [18, 19], implying that relation between these two phases is more intimate than just competition for FS, and demonstrate importance of orbital physics in iron superconductors.",1204.2432v1 2012-06-01,Error estimates for binomial approximations of game put options,"We construct algorithms via binomial approximations for computation of prices of game put options and obtain estimates of approximation errors.",1206.0153v2 2012-07-03,Suzaku Observation of Strong Fluorescent Iron Line Emission from the Young Stellar Object V1647 Ori during Its New X-ray Outburst,"The Suzaku X-ray satellite observed the young stellar object V1647 Ori on 2008 October 8 during the new mass accretion outburst reported in August 2008. During the 87 ksec observation with a net exposure of 40 ks, V1647 Ori showed a high level of X-ray emission with a gradual decrease in flux by a factor of 5 and then displayed an abrupt flux increase by an order of magnitude. Such enhanced X-ray variability was also seen in XMM-Newton observations in 2004 and 2005 during the 2003-2005 outburst, but has rarely been observed for other young stellar objects. The spectrum clearly displays emission from Helium-like iron, which is a signature of hot plasma (kT ~5 keV). It also shows a fluorescent iron Kalpha line with a remarkably large equivalent width of ~600 eV. Such a large equivalent width suggests that a part of the incident X-ray emission that irradiates the circumstellar material and/or the stellar surface is hidden from our line of sight. XMM-Newton spectra during the 2003-2005 outburst did not show a strong fluorescent iron Kalpha line, so that the structure of the circumstellar gas very close to the stellar core that absorbs and re-emits X-ray emission from the central object may have changed in between 2005 and 2008. This phenomenon may be related to changes in the infrared morphology of McNeil's nebula between 2004 and 2008.",1207.0774v1 2012-07-18,MARS Star Density Results for Shielding Applications,"Comparison of MARS 15.09 star density results in thick shielding to the star density distribution in iron and concrete rule-of-thumb expectations.",1207.4457v1 2012-07-24,"From d-wave to s-wave pairing in the iron-pnictide superconductor (Ba,K)Fe2As2","The nature of the pairing state in iron-based superconductors is the subject of much debate. Here we argue that in one material, the stoichiometric iron pnictide KFe2As2, there is overwhelming evidence for a d-wave pairing state, characterized by symmetry-imposed vertical line nodes in the superconducting gap. This evidence is reviewed, with a focus on thermal conductivity and the strong impact of impurity scattering on the critical temperature Tc. We then compare KFe2As2 to Ba0.6K0.4Fe2As2, obtained by Ba substitution, where the pairing symmetry is s-wave and the Tc is ten times higher. The transition from d-wave to s-wave within the same crystal structure provides a rare opportunity to investigate the connection between band structure and pairing mechanism. We also compare KFe2As2 to the nodal iron-based superconductor LaFePO, for which the pairing symmetry is probably not d-wave, but more likely s-wave with accidental line nodes.",1207.5719v1 2012-07-27,The Gutzwiller Density Functional Theory,"In this tutorial presentation, we give a comprehensive introduction into the Gutzwiller variational approach and its merger with the density functional theory. The merits of this method are illustrated by a discussion of results for two-band Hubbard models and realistic multi-band Hamiltonians for iron-pnictide systems.",1207.6456v1 2012-08-24,Conformity of spin fluctuations in alkali-metal iron selenide superconductors inferred from the observation of a magnetic resonant mode in K(x)Fe(2-y)Se(2),"Spin excitations stemming from the metallic phase of the ferrochalcogenide superconductor K(0.77)Fe(1.85)Se(2) (T_c=32 K) were mapped out in the ab plane by means of the time-of-flight neutron spectroscopy. We observed a magnetic resonant mode at Q_res=(1/2 1/4), whose energy and in-plane shape are almost identical to those in the related compound Rb(0.8)Fe(1.6)Se(2). This lets us infer that there is a unique underlying electronic structure of the bulk superconducting phase K(x)Fe(2)Se(2), which is universal for all alkali-metal iron selenide superconductors and stands in contrast to the doping-tunable phase diagrams of the related iron pnictides. Furthermore, the spectral weight of the resonance on the absolute scale, normalized to the volume fraction of the superconducting phase, is several times larger than in optimally doped BaFe(2-x)Co(x)As(2). We also found no evidence for any additional low-energy branches of spin excitations away from Q_res. Our results provide new input for theoretical models of the spin dynamics in iron based superconductors.",1208.5033v1 2012-09-26,Overview on the physics and materials of the new superconductor KxFe2-ySe2,"Since the discovery of high temperature superconductivity in iron pnictides in early 2008, many iron-based superconductors with different structures have been discovered, with the highest transition temperature to date being 57 K. By the end of 2010, another kind of new superconductor, the Fe-based chalcogenide K1-xFe2-ySe2 was discovered. A naive counting of the electrons in the system would lead to a conclusion that the system is heavily electron overdoped (~0.4 e/Fe). Band structure calculations further support this speculation and predict that the hole pockets which are found in the iron pnictides may be missing. This greatly challenges the widely perceived picture that the superconducting pairing is established by exchanging anti-ferromagnetic spin fluctuations and the electrons are scattered between the electron and hole pockets. Later, it was found that both potassium and iron might be deficient in K1-xFe2-ySe2, yielding to a picture of phase separation. In this picture the superconducting phase and the antiferromagnetic (AF) phase may phase separate spatially into different regions. This generates further curiosity about what is the real superconducting phase, what is the relationship between the superconducting phase and the AF phase, and what is the parent state for the superconducting phase. We propose a ""spider web"" model for the phase separation, which can explain both the transport and magnetic data. In this paper, we review the status of research in this rapidly growing field and list the important and unsettled issues as perspectives for future research.",1209.5945v1 2012-10-05,Rapid Microwave-Assisted Synthesis of Dextran-Coated Iron Oxide Nanoparticles for Magnetic Resonance Imaging,"Currently, magnetic iron oxide nanoparticles are the only nano-sized magnetic resonance imaging (MRI) contrast agents approved for clinical use, yet commercial manufacturing of these agents has been limited or discontinued. Though there is still widespread demand for these particles both for clinical use and research, they are difficult to obtain commercially, and complicated syntheses make in-house preparation infeasible for most biological research labs or clinics. To make commercial production viable and increase accessibility of these products, it is crucial to develop simple, rapid, and reproducible preparations of biocompatible iron oxide nanoparticles. Here, we report a rapid, straightforward microwave-assisted synthesis of superparamagnetic dextran-coated iron oxide nanoparticles. The nanoparticles were produced in two hydrodynamic sizes with differing core morphologies by varying the synthetic method as either a two-step or single step process. A striking benefit of these methods is the ability to obtain swift and consistent results without the necessity for air, pH, or temperature sensitive techniques; therefore, reaction times and complex manufacturing processes are greatly reduced as compared to conventional synthetic methods. This is a great benefit for cost-effective translation to commercial production. The nanoparticles are found to be superparamagnetic and exhibit properties consistent for use in MRI. In addition, the dextran coating imparts the water-solubility and biocompatibility necessary for in vivo utilization.",1210.1827v1 2013-02-19,Improper s-wave symmetry for the electronic pairing in iron-based superconductors by first-principles calculation,"By means of space-group symmetry arguments, we argue that the electronic pairing in iron-based high temperature superconductors shows a structure which is a linear combination of planar s-wave and d-wave symmetry channels, both preserving the 3-dimensional A_1g irreducible representation of the corresponding crystal point-group. We demonstrate that the s- and d-wave channels are determined by the parity under reflection of the electronic orbitals through the iron planes, and by improper rotations around the iron sites. We provide evidence of these general properties by performing accurate quantum Monte Carlo ab-initio calculations of the pairing function, for a FeSe lattice with tetragonal experimental geometry at ambient pressure. We find that this picture survives even in the FeSe under pressure and at low temperatures, when the tetragonal point-group symmetry is slightly broken. In order to achieve a higher resolution in momentum space we introduce a BCS model that faithfully describes our QMC variational pairing function on the simulated 4x4 FeSe unit cell. This allows us to provide a k-resolved image of the pairing function, and show that non-isotropic contributions in the BCS gap function are related to the improper s-wave symmetry. Our theory can rationalize and explain a series of contradictory experimental findings, such as the observation of twofold symmetry in the FeSe superconducting phase, the anomalous drop of T_c with Co-impurity in LaFeAsO_(1-x)F_x, the s-to-d-wave gap transition in BaFe_2As_2 under K doping, and the nodes appearing in the LiFeAs superconducting gap upon P isovalent substitution.",1302.4748v2 2013-02-25,Highly Correlated Electron State and High-Temperature Superconductivity in Iron Pnictides,"It is shown that the qualitative model of the high-temperature superconductivity suggested earlier for cuprates and doped picene and based on the idea that the valence electron state depends on the character of the chemical bonds they form and on the Coulomb interaction between the electrons is not only confirmed by the experimental data on iron pnictides but is also improved. From the chemical point of view, the high-temperature superconductivity is associated with additional $\pi$ bonding along chains of covalently bonded ions via a delocalized $\pi$ orbital, just like in cuprates. From the physical point of view, as the data on iron pnictides show, the superconductivity is associated with a FeAs layer transition into the state similar to a macroscopic quantum system characterized by a highly correlated electron state, formation of two-dimensional crystals of electron pairs with quantized energy levels, and a strong Coulomb interaction between these crystals. Superconductivity in such a system is accomplished by a two-dimensional Wigner crystal consisting of one-dimensional Wigner crystals formed by bosons, i.e., singlet electron pairs that are in the same quasi-one-dimensional state extending along the ion chain, which corresponds to a delocalized $\pi$ orbital in chemistry. The model applicability to three different classes of materials (cuprates, picene, iron pnictides) indicates that it can prove useful for development of the theory of superconductivity taking into consideraion the highly correlated state of valence electrons and strong Coulomb interactions between the electrons.",1302.6002v4 2013-03-27,Solubility of Iron in Metallic Hydrogen and Stability of Dense Cores in Giant Planets,"The formation of the giant planets in our solar system, and likely a majority of giant exoplanets, is commonly explained by the accretion of nebular hydrogen and helium onto a large core of terrestrial-like composition. The fate of this core has important consequences for the evolution of the interior structure of the planet. It has recently been shown that H2O, MgO and SiO2 dissolve in liquid metallic hydrogen at high temperature and pressure. In this study, we perform ab initio calculations to study the solubility of an innermost metallic core. We find dissolution of iron to be strongly favored above 2000 K over the entire pressure range (0.4-4 TPa) considered. We compare with and summarize the results for solubilities on other probable core constituents. The calculations imply that giant planet cores are in thermodynamic disequilibrium with surrounding layers, promoting erosion and redistribution of heavy elements. Differences in solubility behavior between iron and rock may influence evolution of interiors, particularly for Saturn-mass planets. Understanding the distribution of iron and other heavy elements in gas giants may be relevant in understanding mass-radius relationships, as well as deviations in transport properties from pure hydrogen-helium mixtures.",1303.6743v1 2013-05-16,Pseudogap formation above the superconducting dome in iron-pnictides,"The nature of the pseudogap in high transition temperature (high-Tc) superconducting cuprates has been a major issue in condensed matter physics. It is still unclear whether the high-Tc superconductivity can be universally associated with the pseudogap formation. Here we provide direct evidence of the existence of the pseudogap phase via angle-resolved photoemission spectroscopy in another family of high-Tc superconductor, iron-pnictides. Our results reveal a composition dependent pseudogap formation in the multi-band electronic structure of BaFe2(As1-xPx)2. The pseudogap develops well above the magnetostructural transition for low x, persists above the nonmagnetic superconducting dome for optimal x and is destroyed for x ~ 0.6, thus showing a notable similarity with cuprates. In addition, the pseudogap formation is accompanied by inequivalent energy shifts in xz/yz orbitals of iron atoms, indicative of a peculiar iron orbital ordering which breaks the four-fold rotational symmetry.",1305.3875v2 2013-09-13,Separation of antiferromagnetism and high-temperature superconductivity in Ca$_{1-x}$La$_x$Fe$_2$As$_2$ under pressure,"We report the effect of applied pressures on magnetic and superconducting order in single crystals of the aliovalent La-doped iron pnictide material Ca$_{1-x}$La$_{x}$Fe$_{2}$As$_{2}$. Using electrical transport, elastic neutron scattering and resonant tunnel diode oscillator measurements on samples under both quasi-hydrostatic and hydrostatic pressure conditions, we report a series of phase diagrams spanning the range of substitution concentrations for both antiferromagnetic and superconducting ground states that include pressure-tuning through the antiferromagnetic (AFM) quantum critical point. Our results indicate that the observed superconducting phase with maximum transition temperature of $T_{c}$=47 K is intrinsic to these materials, appearing only upon suppression of magnetic order by pressure tuning through the AFM critical point. In contrast to all other intermetallic iron-pnictide superconductors with the ThCr$_2$Si$_2$ structure, this superconducting phase appears to exist only exclusively from the antiferromagnetic phase in a manner similar to the oxygen- and fluorine-based iron-pnictide superconductors with the highest transition temperatures reported to date. The unusual dichotomy between lower-$T_{c}$ systems with coexistent superconductivity and magnetism and the tendency for the highest-$T_{c}$ systems to show non-coexistence provides an important insight into the distinct transition temperature limits in different members of the iron-based superconductor family.",1309.3576v1 2013-12-27,Fe-vacancy order and superconductivity in PbO-type tetragonal β-Fe1-xSe,"Several superconducting transition temperatures in the range of 30-40 K were reported in the recently discovered intercalated FeSe sytem (A1-xFe2-ySe2, A = K, Rb, Cs, Tl). Although the superconducting phases were not yet conclusively decided, more than one magnetic phase with particular orders of iron vacancy and/or potassium vacancy were identified, and some were argued to be the parent phase. Here we show the discovery of the presence and ordering of iron vacancy in nonintercalated FeSe (PbO-type tetragonal {\beta}-Fe1-xSe). Three types of iron-vacancy order were found through analytical electron microscopy, and one was identified to be nonsuperconducting and magnetic at low temperature. This discovery suggests that the rich-phases found in A1-xFe2-ySe2 are not exclusive in Fe-Se related superconductors. In addition, the magnetic {\beta}-Fe1-xSe phases with particular iron-vacancy orders are more likely to be the parent phase of FeSe superconducting system, instead of the previously assigned {\beta}-Fe1+{\delta}Te.",1312.7255v1 2014-02-11,Iron-line and continuum variations in the XMM-Newton and Suzaku spectra of the neutron-star low-mass X-ray binary 4U 1636-53,"We used six simultaneous XMM-Newton and Rossi X-ray Timing Explorer plus five Suzaku observations to study the continuum spectrum and the iron emission line in the neutron-star low-mass X-ray binary 4U 1636-53. We modelled the spectra with two thermal components (representing the accretion disc and boundary layer), a Comptonised component (representing a hot corona), and either a Gaussian or a relativistic line component to model an iron emission line at about 6.5 keV. For the relativistic line component we used either the diskline, laor or kyrline model, the latter for three different values of the spin parameter. The fitting results for the continuum are consistent with the standard truncated disc scenario. We also find that the flux and equivalent width of the iron line first increase and then decrease as the flux of the Comptonised component increases. This could be explained either by changes in the ionisation state of the accretion disc where the line is produced by reflection, or by light bending of the emission from the Comptonised component if the height at which this component is produced changes with mass accretion rate.",1402.2350v1 2014-06-16,Simulation Studies for Electromagnetic Design of INO ICAL Magnet and its Response to Muons,"The iron calorimeter (ICAL) detector at the India-based Neutrino Observatory (INO) will be used to measure neutrino mass hierarchy. The magnet in the ICAL detector will be used to distinguish the {\mu^-} and {\mu^+} events induced by {\nu_{\mu}} and {\bar{\nu_{\mu}}}, respectively. Due to the importance of the magnet in ICAL, an electromagnetic simulation has been carried out to study the B-field distribution in iron using various designs. The simulation shows better uniformity in the portion of the iron layer between the coils, which is bounded by regions which have lesser field strength as we move to the periphery of the iron layer. The ICAL magnet was configured to have a tiling structure that gave the minimum reluctance path while keeping a reasonably uniform field pattern.This translates into less Ampere-turns needed for generation of the required magnetic field. At low Ampere-turns, a larger fractional area with \vert B \vert \ge 1 Tesla (T) can be obtained by using a soft magnetic material. A study of the effect of the magnetic field on muon trajectories has been carried out using GEANT4. For muons up to 20 GeV, the energy resolution improves as the magnetic field increases from 1.1T to 1.8T. The charge identification efficiency for muons was found to be more than 90\% except for large zenith angles.",1406.3965v3 2014-08-20,Nuclear inputs of key iron isotopes for core-collapse modeling and simulation,"From the modeling and simulation results of presupernova evolution of massive stars, it was found that isotopes of iron, $^{54,55,56}$Fe, play a significant role inside the stellar cores, primarily decreasing the electron-to-baryon ratio ($Y_{e}$) mainly via electron capture processes thereby reducing the pressure support. The neutrinos produced, as a result of these capture processes, are transparent to the stellar matter and assist in cooling the core thereby reducing the entropy. The structure of the presupernova star is altered both by the changes in $Y_{e}$ and the entropy of the core material. Here we present the microscopic calculation of Gamow-Teller strength distributions for isotopes of iron. The calculation is also compared with other theoretical models and experimental data. Presented also are stellar electron capture rates and associated neutrino cooling rates, due to isotopes of iron, in a form suitable for simulation and modeling codes. It is hoped that the nuclear inputs presented here should assist core-collapse simulators in the process of fine-tuning of the $Y_{e}$ parameter during various phases of presupernova evolution of massive stars. A reliable and accurate time evolution of this parameter is a possible key to generate a successful explosion in modeling of core-collapse supernovae.",1408.4534v1 2014-09-08,Electronic structure in one-Fe Brillouin zone of iron-pnictide superconductor CsFe$_2$As$_2$,"The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and hole pockets near the Fermi level. At the fundamental level, though many theoretical models were constructed on the basis of the so-called 1-Fe Brillouin zone (BZ) with an emphasis of the basic square lattice of iron atoms, most electronic structure measurements were interpreted in the 2-Fe BZ. Whether the 1-Fe BZ is valid in a real system is still an open question. Using angle-resolved photoemission spectroscopy (ARPES), here we show in an extremely hole-doped iron-pnictide superconductor CsFe$_2$As$_2$ that the distribution of electronic spectral weight follows the 1-Fe BZ, and that the emerging band structure bears some features qualitatively different from theoretical band structures of the 1-Fe BZ. Our analysis suggests that the interlayer separation is an important tuning factor for the physics of FeAs layers, the increase of which can reduce the coupling between Fe and As and lead to the emergence of the electronic structure in accord with the 1-Fe symmetry of the Fe square lattice. Our finding puts strong constraints on the theoretical models constructed on the basis of the 1-Fe BZ.",1409.2300v2 2014-11-20,Significant contribution of As 4p orbitals to the low-lying electronic structure of 112-type iron-based superconductor Ca0.9La0.1FeAs2,"We report a systematic polarization-dependent angle-resolved photoemission spectroscopy study of the three-dimensional electronic structure of the recently discovered 112-type iron-based superconductor Ca1-xLaxFeAs2 (x = 0.1). Besides the commonly reported three hole-like and two electron-like bands in iron-based superconductors, we resolve one additional hole-like band around the zone center and one more fast-dispersing band near the X point in the vicinity of Fermi level. By tuning the polarization and the energy of incident photons,we are able to identify the specific orbital characters and the kz dependence of all bands. Combining with band calculations, we find As 4pz and 4px (4py) orbitals contribute significantly to the additional three-dimensional hole-like band and the narrow band, respectively. Also, there are considerable hybridization between the As 4p zand Fe 3d orbitals in the additional hole-like band, which suggests the strong coupling between the unique arsenic zigzag bond layers and the FeAs layers therein. Our findings provide a comprehensive picture of the orbital characters of the low-lying band structure of 112-type iron-based superconductors, which can be a starting point for the further understanding of their unconventional superconductivity.",1411.5525v1 2015-01-23,Tensile strain-induced softening of iron at high temperature,"In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic states, in turn, can give rise to substantially different macroscopic properties. A classical example is iron, which exhibits a great variety of properties as one gradually removes the magnetic long-range order by raising the temperature towards and beyond its Curie point of $T_{\text{C}}^{0}=1043$\,K. Using first-principles theory, here we demonstrate that uniaxial tensile strain can also destabilize the magnetic order in iron and eventually lead to a ferromagnetic to paramagnetic transition at temperatures far below $T_{\text{C}}^{0}$. In consequence, the intrinsic strength of the ideal single-crystal body-centered cubic iron dramatically weakens above a critical temperature of $\sim 500$\,K. The discovered strain-induced magneto-mechanical softening provides a plausible atomic-level mechanism behind the observed drop of the measured strength of Fe whiskers around $300-500$\,K. Alloying additions which have the capability to partially restore the magnetic order in the strained Fe lattice, push the critical temperature for the strength-softening scenario towards the magnetic transition temperature of the undeformed lattice. This can result in a surprisingly large alloying-driven strengthening effect at high temperature as illustrated here in the case of Fe-Co alloy.",1501.05774v2 2015-01-23,Quasiparticles in Iron Silicides: GW versus LDA,"The angle-resolved photoemission spectroscopy, ARPES, is able to measure both the spectra and spectral weights of the quasiparticles in solids. Although it is common to interpret the band structure obtained within the density-functional-theory based methods as quasi-particle spectra, these methods are not able to provide the changes in spectral weights of the electron excitations. We use Vienna Ab initio Simulation Package, VASP, for evaluation of the quasiparticle spectra and their spectral weights within Hedin GW approximation for Fe3Si and FeSi2, providing, thus, a prediction for the ARPES experiments. Comparison of the band structures shows that both theories reflect peculiarities of the crystal structures in similar shape of the bands in certain k-directions, however, in general the difference is quite noticeable. We find that the spectral weight of quasiparticles in these compounds deviates from unity everywhere and shows non-monotonic behavior in those parts of bands where the delocalized states contribute to their formation. Both methods lead to the same conclusion: those of iron ions in Fe3Si which occupy the positions, where they are surrounded by only Fe ions, have the d-electrons localized and large magnetic moment whereas Fe ions with the Si nearest neighbors have d-electrons delocalized and the magnetic moments quenched. The Si influence on the Fe ion state is even more pronounced in the FeSi2 where all iron ions have the Si ions as nearest neighbors: both approaches produce zero moment on iron ions. The advantages and disadvantages of both approaches are discussed.",1501.05898v3 2015-01-27,Direct observation of nanoscale interface phase in the superconducting chalcogenide K$_{x}$Fe$_{2-y}$Se$_2$ with intrinsic phase separation,"We have used scanning micro x-ray diffraction to characterize different phases in superconducting K$_{x}$Fe$_{2-y}$Se$_2$ as a function of temperature, unveiling the thermal evolution across the superconducting transition temperature (T$_c\sim$32 K), phase separation temperature (T$_{ps}\sim$520 K) and iron-vacancy order temperature (T$_{vo}\sim$580 K). In addition to the iron-vacancy ordered tetragonal magnetic phase and orthorhombic metallic minority filamentary phase, we have found a clear evidence of the interface phase with tetragonal symmetry. The metallic phase is surrounded by this interface phase below $\sim$300 K, and is embedded in the insulating texture. The spatial distribution of coexisting phases as a function of temperature provides a clear evidence of the formation of protected metallic percolative paths in the majority texture with large magnetic moment, required for the electronic coherence for the superconductivity. Furthermore, a clear reorganization of iron-vacancy order around the T$_{ps}$ and T$_c$ is found with the interface phase being mostly associated with a different iron-vacancy configuration, that may be important for protecting the percolative superconductivity in K$_{x}$Fe$_{2-y}$Se$_2$.",1501.06745v1 2015-02-26,"Strong Interplay between Stripe Spin Fluctuations, Nematicity and Superconductivity in FeSe","Elucidating the microscopic origin of nematic order in iron-based superconducting materials is important because the interactions that drive nematic order may also mediate the Cooper pairing. Nematic order breaks fourfold rotational symmetry in the iron plane, which is believed to be driven by either orbital or spin degrees of freedom. However, as the nematic phase often develops at a temperature just above or coincides with a stripe magnetic phase transition, experimentally determining the dominant driving force of nematic order is difficult. Here, we use neutron scattering to study structurally the simplest iron-based superconductor FeSe, which displays a nematic (orthorhombic) phase transition at $T_s=90$ K, but does not order antiferromagnetically. Our data reveal substantial stripe spin fluctuations, which are coupled with orthorhombicity and are enhanced abruptly on cooling to below $T_s$. Moreover, a sharp spin resonance develops in the superconducting state, whose energy (~4 meV) is consistent with an electron boson coupling mode revealed by scanning tunneling spectroscopy, thereby suggesting a spin fluctuation-mediated sign-changing pairing symmetry. By normalizing the dynamic susceptibility into absolute units, we show that the magnetic spectral weight in FeSe is comparable to that of the iron arsenides. Our findings support recent theoretical proposals that both nematicity and superconductivity are driven by spin fluctuations.",1502.07544v1 2015-03-18,Broad Iron Emission from Gravitationally Lensed Quasars Observed by Chandra,"Recent work has demonstrated the potential of gravitationally lensed quasars to extend measurements of black hole spin out to high-redshift with the current generation of X-ray observatories. Here we present an analysis of a large sample of 27 lensed quasars in the redshift range 1.0