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A high degree of spin polarization in half-metallic double perovskites is a prerequisite for several applications in spintronics, which depends crucially on the cationic order of the systems. This paper reports a study on tailoring the structure and morphology of nano-sized Sr2Fe1-xZnxMoO6 (x = 0.05, 0.1, 0.15) materials to improve their spin polarization. The combined analysis of synchrotron X-ray diffraction and magnetization data shows that Zn replaces Fe in the B sites. Although the majority of particles have lateral dimensions in the range 30–60 nm as observed by scanning electron microscope, the samples with x = 0.1 and 0.15 show finite-size effects with superparamagnetism below room temperature and a reduced Curie temperature (from 410 K for x = 0.05–390 K for x = 0.15). The results are due to the formation of networks of insulating Mo–O–Zn–O–Mo linkages and anti-phase boundaries, which divide the particles into smaller domains with a mean diameter of ∼11 nm as determined via a Langevin fit. The almost perfectly ordered structure in the nanodomains is responsible for a high magnetoresistance ratio. A value of -42% at 5 K in 50 kOe is recorded for the sample x = 0.15. Via fitting the magnetoresistance curve using the Inoue-Mekagawa theory, the spin polarization of 99% is determined.

The spintronic properties of molecules are essential for the development of multifunctional organic spintronic devices. Here, the spin polarization of bis-(8-hydroxyquinoline) zinc (Znq2) molecule upon electron and hole injection has been theoretically studied by using density-functional theory calculations. It is found that both the injected excess electrons and holes are highly spin polarized in Znq2, leading to an approximately linearly increased magnetic moments with the amount of the charge injected. Our calculation also reveals that the spin polarization upon excess electron and hole injection may attribute to the exchange splitting of lowest unoccupied molecular orbital (LUMO)-related p states of N and C atoms of pyridyl rings and the highest occupied molecular orbital (HOMO)-related p states of O and C atoms of the phenoxide rings, respectively. The d0 ferromagnetism in the charge-injected Znq2 molecule is quite promising for organic spintronic devices.

Out-of-plane spin polarization {\sigma}_z has attracted increasing interests of researchers recently, due to its potential in high-density and low-power spintronic devices. Noncollinear antiferromagnet (AFM), which has unique 120{\deg} triangular spin configuration, has been discovered to possess {\sigma}_z. However, the physical origin of {\sigma}_z in noncollinear AFM is still not clear, and the external magnetic field-free switching of perpendicular magnetic layer using the corresponding {\sigma}_z has not been reported yet. Here, we use the cluster magnetic octupole in antiperovskite AFM Mn3SnN to demonstrate the generation of {\sigma}_z. {\sigma}_z is induced by the precession of carrier spins when currents flow through the cluster magnetic octupole, which also relies on the direction of the cluster magnetic octupole in conjunction with the applied current. With the aid of {\sigma}_z, current induced spin-orbit torque (SOT) switching of adjacent perpendicular ferromagnet is realized without external magnetic field. Our findings present a new perspective to the generation of out-of-plane spin polarizations via noncollinear AFM spin structure, and provide a potential path to realize ultrafast high-density applications., Comment: 23 pages, 4 figures, accepted by Nat. Commun

International audience; The nitrogen-vacancy (NV) center in 3C-SiC, the analog of the NV center in diamond, has recently emerged as a solid-state qubit with competitive properties and significant technological advantages. Combining first-principles calculations and magnetic resonance spectroscopy we provide thorough insight in its magneto-optical properties. By applying resonantly excited electron paramagnetic resonance spectroscopy, we identified the zero-phonon absorption line of the 3 A 2 → 3 E transition at 1289 nm (within the telecom Oband) and measured its phonon sideband, the analysis of which reveals a Huang-Rhys factor of S = 2.85 and a Debye-Waller factor of 5.8 %. The low temperature spin-lattice relaxation time was found to be exceptionally long (T 1 = 17 s at 4 K). All these properties make NV in 3C-SiC a strong competitor for qubit application. In addition, the strong variation of the zero-field splitting in the range of 4K to 380K allows its application for nanoscale thermal sensing.

Electric field control of magnetic properties has been achieved across a number of different material systems. In diluted magnetic semiconductors (DMSs), ferromagnetic metals, multiferroics, etc., electrical manipulation of magnetism has been observed. Here, we study the effect of an electric field on the carrier spin polarization in DMSs ( GaAsMn ); in particular, emphasis is given to spin-dependent transport phenomena. In our system, the interaction between the carriers and the localized spins in the presence of electric field is taken as the main interaction. Our results show that the electric field plays a major role on the spin polarization of carriers in the system. This is important for spintronics application.

The spin polarization of photoelectrons in two-color XUV + optical multiphoton ionization is theoretically considered using strong field approximation. We assume that both the XUV and the optical radiation are circularly polarized. It is shown that the spin polarization is basically determined by the XUV photoabsorption and that the sidebands are spin polarized as well. Their polarization may be larger or smaller than that of the central photoelectron line depending on the helicity of the dressing field.

The influence of spatial variation of Fermi velocity on the spin-polarized transport properties of massless Dirac fermions in proximity-induced ferromagnetic graphene junction was investigated. We found that the velocity ratio ξ causing the width of the spin conductance dip near the Dirac point is broadened as the Fermi velocity ratio increases. In contrast, the effect of the Fermi velocity mismatch does not affect the shifting of the Dirac point. It leads to the indirect measurement of the Fermi velocity ratio that can be tuned by the spin-dependent conductance. In addition to the presence of both the exchange field and the Fermi velocity modulation, we found high spin filtering occurs when the Fermi velocity ratio ξ ≥ 1. Due to the transmission probability of electron with spin down, T↓ is blocked by the effect of Fermi velocity modulation similar to waves travelling through a different media. Moreover, we also found that the resonant transmission of the electron with spin up can be perfectly transmitted through the Fermi velocity barrier at the limit injected angle θ → π/2 for H/EF ≈ 1. The spin transport properties can be controlled by suitably modifying the strength of the ferromagnetic insulator and varying the Fermi velocity modulation, which leads to the highest spin polarization. By manipulating the behavior of spin-dependent collimation and spin beam splitting in this structure, we proposed a spin transport device for making lateral spin polarization. These interesting features will help make the development of spintronic devices in the graphene-based nanostructure.

We theoretically investigate spin polarization for electrons in magnetically and electrically confined semiconductor microstructure, which is constructed by patterning a ferromagnetic stripe and a Schottky-metal stripe on top and bottom of GaAs/AlxGa1-xAs heterostructure, respectively. Both Zeeman interaction and spin–orbit coupling are taken into account; however, electron-spin polarization comes mainly from the latter due to a small effective g-factor for GaAs. Besides, both magnitude and sign of spin polarization can be manipulated by changing interfacial confining electric field or strain engineering, resulting in a tunable electron-spin filter for spintronics device applications.

Electric field tailored magnetic properties of the perovskite-type oxide heterostructures are important in spintronic devices with low energy consumption and small size. Here, the electric field modulated magnetic properties of underoxidized SrRuO3 (SRO)/SrTiO3 (STO) heterostructures are investigated using first-principles calculations. The spin polarization of underoxidized SRO/STO heterostructures turns from negative to positive as the electric field changes from −0.2 to 0.2 V nm−1. The underoxidized SRO/STO heterostructure with 7 SRO atomic layers turns from perpendicular magnetic anisotropy to in-plane magnetic anisotropy as the electric field turns from −0.2 to 0.2 V nm−1, which can be attributed to the in-plane dx2–y2 and out-of-plane dxz, dyz orbitals. The Dzyaloshinskii–Moriya interaction of underoxidized SRO/STO heterostructures can also be effectively tailored using an electric field. These results indicate that the use of electric field is an effective method to modulate magnetic properties of perovskite-type oxide heterostructures, which is beneficial for the development of the high-performance spintronic devices.

The spin-resolved transport for monolayer MoS2 through a zigzag nanoribbon superlattice based on the transfer matrix method in the resonant tunneling regime is investigated in the presence of an external perpendicular electric field. The controllable external electric field leads to the so-called Rashba effect, which can modulate the internal spin–orbit coupling. Our investigations show that by controlling the Rashba strength, it is possible to attain 100% spin-polarization and spin-flip, which can be used in designing an optimized spintronic device. In addition, the effects of superlattice specific parameters (D/W), the barrier height (V0), and the number of barriers (N) on the functionality of the system are studied, leading to optimum results for the case of 20 barriers.

We report that spin polarization occurs over millimeters in polycrystalline bulk samples of chiral disilicide NbSi$_2$ and TaSi$_2$. As previously demonstrated in the experiments using single crystals of NbSi$_2$ and TaSi$_2$, electrical transport measurements allow detection of direct and inverse signals associated with the chirality-induced spin polarization even in the chiral polycrystals. The spin polarization signals also appear in nonlocal measurements, in which charge current flows only in the area millimeters away from the detection electrode. These data mean that the spin polarization phenomena occur regardless of the presence of crystalline grains in the polycrystals, indicating a robustness and resilience of the chirality-induced spin polarization. On the basis of the experimental data, we found that the sum rule holds for the spin transport signals. A distribution of handedness over the samples was determined on average in the polycrystals. While the mechanism of preserving the spin polarization over millimeters remains to be clarified, the present study may open up prospects of spin control and manipulation over macroscopic length scales using chiral materials., 6 pages, 5 figures

Current-induced spin polarization in magnets has recently attracted much attention because out-of-plane spin polarization is allowed, as opposed to polycrystalline nonmagnetic heavy metals. We investigate the $\mathrm{Pt}$-impurity-doping dependence of current-induced out-of-plane spin polarization in $\mathrm{Fe}$ thin films with the use of magnetocircular dichroism. Current-induced out-of-plane spin polarization is clearly observed and attributed to anomalous spin-orbit torque, in which the spin-orbit torque induced by the spin Hall effect in $\mathrm{Fe}$ acts on the magnetic moments of $\mathrm{Fe}$ at the surfaces, generating out-of-plane spin polarization. Notably, current-induced out-of-plane spin polarization is significantly enhanced with increasing $\mathrm{Pt}$ concentration. $\mathrm{Pt}$ impurities with a large spin-orbit interaction induce the extrinsic spin Hall effect of $\mathrm{Fe}$, and consequently, the anomalous spin-orbit torques are enhanced. Our results provide a guiding principle for strengthening current-induced spin polarization in magnets.

Taking into account the electron spin mobility, the paper considers the numerical solution to the equation for nonequilibrium spin polarization at the boundary of a magnetic contact with a current formed by two ferromagnets. The frequencies of spin injection radiation are calculated. It is shown that at a certain current density exceeding the threshold value, these frequencies lie in the terahertz frequency range. It was found that for the same terahertz frequency range, even for small values of the difference in the mobility of electrons with spin up and down, the current density can be two orders of magnitude lower than the current density with the same mobility.

Two-dimensional electron gas (2DEG) created at compound interfaces can exhibit a broad range of exotic physical phenomena, including quantum Hall phase, emergent ferromagnetism, and superconductivity. Although electron spin plays key roles in these phenomena, the fundamental understanding and application prospects of such emergent interfacial states have been largely impeded by the lack of purely spin-polarized 2DEG. In this work, by first-principles calculations of the multiferroic superlattice GeTe/MnTe, we find the ferroelectric polarization of GeTe is concurrent with the half-metallic 2DEG at interfaces. Remarkably, the pure spin polarization of the 2DEG can be created and annihilated by polarizing and depolarizing the ferroelectrics and can be switched (between pure spin-up and pure spin-down) by flipping the ferroelectric polarization. Given the electric-field amplification effect of ferroelectric electronics, we envision multiferroic superlattices could open up new opportunities for low-power, high-efficiency spintronic devices such as spin field-effect transistors.

Lead halide perovskites (LHPs) exhibit large spin-orbit coupling (SOC), leading to only twofold-degenerate valence and conduction bands and therefore allowing for efficient optical orientation. This makes them ideal materials to study charge carrier spins. With this study we elucidate the spin dynamics of photoexcited charge carriers and the underlying spin relaxation mechanisms in CsPbI3 nanocrystals by employing time-resolved differential transmission spectroscopy (DTS). We find that the photoinduced spin polarization significantly diminishes during thermalization and cooling toward the energetically favorable band edge. Temperature-dependent DTS reveals a decay in spin polarization that is more than 1 order of magnitude faster at room temperature (3 ps) than at cryogenic temperatures (32 ps). We propose that spin relaxation of free charge carriers in large-SOC materials like LHPs occurs as a result of carrier-phonon scattering, as described by the Elliott-Yafet mechanism.

The effective spin polarization and spin filtering of a linear chain of N one-dimensional nanorings in the presence of the Rashba and Aharonov–Bohm effects are studied by considering three different lead–ring coupling regimes. Utilizing the transfer-matrix method, the optimal number of rings for maximizing the system efficiency is determined in the weak, medium, and strong lead–ring coupling regimes. The strong coupling regime is proposed for the design of spintronic devices as it exhibits the highest system efficiency. Furthermore, by tuning the Rashba strengths in the rings alternately, perfect spin filtering and full-range spin polarization with high efficiency can be obtained in narrow ranges of the incident electron wavenumber. Moreover, controlling the Rashba strength leads to the design of energy-filtering devices with a desired spin polarization, which could play a dominant role in spintronic technology.

Magnetic halogen doped MoX2 (X = S and Se) monolayers influenced the electronic structure of graphene through a proximity effect. This process was observed using state-of-the-art calculations. It was found that the substitution of a single chalcogen atom with a halogen atom (F, Cl, Br, and I) results in n-type doping of MoX2. An additional electron from the dopant is localized on binding orbitals with the nearest Mo atoms and leads to the formation of magnetism in the dichalcogenide layer. Detailed analysis of halogen doped MoX2/graphene heterostructures demonstrated the induction of spin polarization in graphene near the Fermi energy. Significant spin polarization near the Fermi energy and n-type doping were observed in the graphene layer of MoSe2/graphene heterostructures with MoSe2 doped with iodine. At the same time, fluorine-doped MoSe2 does not cause n-doping in graphene, while spin polarization still takes place. The possibility for the detection of the arrangement of the halogen impurities at the MoX2 basal plane even with the graphene layer deposited on top was demonstrated through STM measurements which will be undoubtedly useful for the fabrication of electronic schemes and elements based on the proposed heterostructures for their further application in nanoelectronics and spintronics.

The mechanism of the effect of (Y,Yb) co-doping on spin polarization in monolayer MoS2 was investigated via first-principles calculations. The theoretical results reveal that Yb mono-doped monolayer MoS2 favors a spin-polarized state, and the 2Yb-doped monolayer MoS2 can maintain a stable ferromagnetic state above room temperature. Although the Y dopant has no contribution to the magnetic moments, the ferromagnetic state of 2Yb-doped monolayer MoS2 can be stabilized by Y co-doping at the Y4 position. Moreover, Y and Yb dopants could decrease the MoS antisite defect formation energy to enhance the spin polarization of monolayer MoS2. The results suggest an effective means for modulating the spin polarization by d–f co-doping, which promotes the applications of monolayer MoS2 in spintronics.

Compared with the conventional magnetic means (such as ferromagnetic contacts), controlling a spin current by electrical methods could largely reduce the energy consumption and dimensions of nano-devices, which has become a focus of research in spintronics. Inspired by recent progress in the synthesis of an iron-based metal-organic nanostructure, we investigate the spin-dependent electronic transport of the molecule of Fe3-terpyridine-phenyl-phenyl-terpyridine-Fe3 (Fe3-TPPT-Fe3) through first-principles calculations, and propose a three-terminal device without ferromagnetics. By applying a gate voltage, not only the spin polarization can be switched between 100% and -100% to achieve a dual-spin filter, but also its fine regulation can be realized, where the transmission with any ratio of spin-up to spin-down electron numbers is achievable. Analysis shows that the particular transmission spectra are the key mechanism, where two peaks reside discretely on both sides of the Fermi level with opposite spins. Such a feature is found to be robust to the number of Fe atoms and TPPT chain length, suggesting that it is an intrinsic feature of such systems and very conducive to practical applications. The electrical control (such as an electric field) of spin polarization is realized at the single-molecule level, showing great application potential.

An original equation for nonequilibrium spin polarization in magnetic junctions based on dynamic equations for magnetic moment was obtained. Spatial nonuniformity of the distribution of carriers is taken into account in the equations, and the magnetic moment is averaged over the ensemble of nonequilibrium spin-injected electrons. The solution to the dynamic equations for the magnetic moment is used to estimate the probability of spin-flip electron transitions upon spin injection, and the solution to the equation for the nonequilibrium spin polarization in magnetic junctions is used to calculate frequencies of photon emission or absorption at energies corresponding to the energy of effective exchange splitting of spin subbands.

We theoretically explore how to control electron-spin polarization in layered semiconductor nanostructure (LSN) by a [Formula: see text]-potential realized by atomic-layer doping. Due to Rashba spin-orbit coupling, a considerable spin polarization still remains even through a [Formula: see text]-potential is embedded in the LSN. Spin polarization ratio can be controlled by altering weight or position of [Formula: see text]-potential. Based on such an LSN, a structurally-tunable electron-spin filter may be obtained for spintronics device applications.

We study the spin polarization generated by the hydrodynamic gradients. In addition to the widely studied thermal vorticity effects, we identify an undiscovered contribution from the fluid shear. This shear-induced polarization (SIP) can be viewed as the fluid analog of strain-induced polarization observed in elastic and nematic materials. We obtain the explicit expression for SIP using the quantum kinetic equation and linear response theory. Based on a realistic hydrodynamic model, we compute the differential spin polarization along both the beam direction $\hat{z}$ and the out-plane direction $\hat{y}$ in non-central heavy-ion collisions at $\sqrt{s_{NN}}=200$ GeV, including both SIP and thermal vorticity effects. We find that SIP contribution always shows the same azimuthal angle dependence as experimental data and competes with thermal vorticity effects. In the scenario that $\Lambda$ inherits and memorizes the spin polarization of strange quark, SIP wins the competition, and the resulting azimuthal angle dependent spin polarization $P_y$ and $P_z$ agrees qualitatively with the experimental data., Comment: 6 pages, 3 figures

A spin-polarized state is examined under charge current at room temperature without magnetic fields in chiral disilicide crystals NbSi_{2} and TaSi_{2}. We found that a long-range spin transport occurs over ten micrometers in these inorganic crystals. A distribution of crystalline grains of different handedness is obtained via location-sensitive electrical transport measurements. The sum rule holds in the conversion coefficient in the current-voltage characteristics. A diamagnetic nature of the crystals supports that the spin polarization is not due to localized electron spins but due to itinerant electron spins. A large difference in the strength of antisymmetric spin-orbit interaction associated with 4d electrons in Nb and 5d ones in Ta is oppositely correlated with that of the spin polarization. A robust protection of the spin polarization occurs over long distances in chiral crystals.

Based on first-principles calculations, the spin-dependent electronic transport of nanoporous graphene nanoribbons is investigated. A three-terminal configuration is proposed, which can electronically control the spin polarization of transmission, instead of magnetic methods. By modulating the gate voltage, not only could the transmission be switched between completely spin up and spin down polarized states to realize a dual-spin filter, but also the spin polarization could be finely tuned between 100% and -100%. Any ratio of spin up to spin down transport electrons can be realized, providing more possibilities for the design of nanoelectronic devices. Further analysis shows that the transmission spectra, with two distinct transmission peaks with opposite spins around EF, are the key point, which are contributed by p orbitals. And such a phenomenon is robust to the width and length of the nanoporous graphene nanoribbons, suggesting that it is an intrinsic feature of these systems. The electrical control on spin polarization is realized in pure-carbon systems, showing great application potential.

The electronic structure and spin polarization properties of monolayer GaP3 induced by transition metal (TM) doping were investigated through a first-principles calculation based on density functional theory. The calculation results show that all the doped systems perform spin polarization properties, and the Fe–doped system shows the greatest spin polarization property with the biggest magnetic moment. Based on the analysis from the projected density of states, it was found that the new spin electronic states originated from the p–d orbital couplings between TM atoms and GaP3 lead to spin polarization. The spin polarization results were verified by calculating the spin density distributions and the charge transfer. It is effective to introduce the spin polarization in monolayer GaP3 by doping TM atoms, and our work provides theoretical calculation supports for the applications of triphosphide in spintronics.

We use first-principles calculations to investigate the mechanism of the effect of native defects on the spin polarization and exchange coupling interaction in the V3O4 semimetal material. Our resu...

We employed the reflective probing of linearly polarized light to explore the dependence of electron spin dynamics, in a high mobility dense two-dimensional electron gas, on the external magnetic field, excitation power and sample temperature using the time-resolved Kerr rotation. Owing to the complex layered structure, the dynamics of spin polarization in the studied sample enclosed information about the spin signal corresponding to the different populations of electrons. Fit to the data revealed multiperiodic spin precession, with distinct g-factors that modulate the decay of the TRKR envelope. Additionally, the spin precession in our structure was seen to be thermally robust, persisting up to 250 K. The dynamics of optically induced spins, from different electron populations, was monitored as a function of different experimental parameters.

Electron spins in van der Waals materials are playing a crucial role in recent advances in condensed-matter physics and spintronics. However, nuclear spins in van der Waals materials remain an unexplored quantum resource. Here we report optical polarization and coherent control of nuclear spins in a van der Waals material at room temperature. We use negatively charged boron vacancy ([Formula: see text]) spin defects in hexagonal boron nitride to polarize nearby nitrogen nuclear spins. We observe the Rabi frequency of nuclear spins at the excited-state level anti-crossing of [Formula: see text] defects to be 350 times larger than that of an isolated nucleus, and demonstrate fast coherent control of nuclear spins. Further, we detect strong electron-mediated nuclear-nuclear spin coupling that is five orders of magnitude larger than the direct nuclear-spin dipolar coupling, enabling multi-qubit operations. Our work opens new avenues for the manipulation of nuclear spins in van der Waals materials for quantum information science and technology.

Studies of the current-induced spin polarization (CISP) have been recently reinvigorated due to the discoveries of CISP in some burgeoning materials such as oxide interfaces, van der Waals, and topological quantum materials. Here, we investigate the CISP in two-dimensional systems for different types of spin-orbit coupling (SOC) using the Boltzmann transport theory. We find an anisotropic response of CISP to the current direction which strongly depends on the type of SOC. We demonstrate that the CISP is nonlinear with respect to the SOC magnitude, depends on the Fermi energy, and exhibits two different transport regimes for low or high carrier density. Finally, we propose a magnetoresistance device which can exploit the predicted CISP anisotropy.

Current-induced spin polarization (CISP) in the topological insulator (TI) ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ has been observed via circularly polarized photoconductive differential current (CPDC). It is found that the CPDC induced by the CISP is proportional to the square of the longitudinal electric field when the electric field is weak. The intensity of the CPDC decreases and finally reverses the sign when the thickness of ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ films is increased from 3 to 20 QL, owing to the switching of the dominant contribution to the CPDC from the top surface states to the bottom surface states. The spin polarization degree (SPD) of the photoconduction and the critical electric field ${E}_{c}$ at which the SPD becomes saturated are determined, and it is revealed that the SPD decreases while ${E}_{c}$ increases with the increasing of the thickness of ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ films. In addition, it is demonstrated that the CPDC excited by 1064 nm is more than one order larger than that excited by 1342 nm light, which is due to the larger optical absorption coefficient when excited by 1064 nm light. The temperature dependence of the CPDC and SPD of ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$ films is also investigated, and it is found that the SPD induced by CISP first increases and then decreases with decreasing temperature. This work proposes a method using CPDC to investigate the CISP of TIs.

Spin–orbit coupling forms the physical basis for quantum materials with non-trivial topology and potential spintronics applications. The Rashba interaction is a textbook model of spin–orbit interactions, with charge carriers undergoing linear, isotropic spin-splitting in momentum space. Recently, non-centrosymmetric semiconductors in the family BiTeX (X = Cl, Br, I) have been identified as exemplary Rashba materials due to the strong splitting of their bulk bands, yet a detailed investigation of their spin textures, and their relationships to local crystal symmetry, is currently lacking. We perform high-efficiency spin-resolved photoemission spectroscopy to directly image the spin texture of surface states of BiTeCl, and we find dramatic deviations from idealized behavior, including a reversal of the spin-polarization near the Fermi level. We show that this behavior can be described by higher-order contributions to the canonical Rashba model with the surface states localized to individual trilayers of the crystal. Due to the prominence of these effects near the Fermi level, they should have a strong impact on the spin-dependent transport of carriers.

On the basis of first-principle calculations, we have studied the electronic and magnetic properties of a series of one-dimensional metal–organic frameworks (MOFs), labeled as MIT. These are coordi...

Using first principles total energy calculation with the approach of density functional theory (DFT) and DFT + U calculations, the structural and electronic properties of erbium copper (ErCu) intermetallic compound were studied. In the present work, we used the local density approximation for the exchange and correlation potential for the spin polarized case. The structural optimization shows that ErCu is stable in the cubic structure. The obtained ground state properties viz; lattice constant ao (a.u), bulk modulus B (GPa) and magnetic moment (μB), which show good comparison with the available experimental data. We have also investigated the electronic properties such as electronic band structure, density of states, Fermi surfaces and charge density of states for spin-polarized case. In the band structure, majority spins energies contributions are higher than the minority spins energies contribution. The total density of states (TDOS) show that near the Fermi level, is mostly dominated by Er ‘f’ orbital electrons and below the Fermi level, are due to Cu ‘3d’ orbital electrons. The charge distributions of ErCu are ranging between +0.0003 e/A3 to +0.0693 e/A3 for majority channels and +0.0003 e/A3 to +0.0715 e/A3 for the minority spin channels.

Evolution of spin polarization in the presence of external electric field is studied for collision energies $\sqrt{s_{\rm NN}}=27\,{\rm GeV}$ and $\sqrt{s_{\rm NN}}=200\,{\rm GeV}$. The numerical analysis is done in the perfect-fluid Bjorken-expanding resistive magnetohydrodynamic background and novel results are reported. In particular, we show that the electric field plays a significant role in the competition between expansion and dissipation., 12 pages, 6 figures; Accepted version; Comments are very much welcome!

Solid-state materials are currently being explored as a platform for the manipulation of spins for spintronics and quantum information science. More broadly, a wide spectrum of ferroelectric materials, spanning from inorganic oxides to polymeric systems such as PVDF, present a different approach to explore quantum phenomena in which the spins are set and manipulated with electric fields. Using dilute Fe

We investigate near-Fermi-energy (${E}_{F}$) element-specific electronic and spin states of ferromagnetic van der Waals (vdW) metal ${\mathrm{Fe}}_{5}\mathrm{Ge}{\mathrm{Te}}_{2}$. The soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) measurement provides spectroscopic evidence of localized Fe $3d$ band. We also find prominent hybridization between the localized Fe $3d$ band and the delocalized Ge/Te $p$ bands. This picture is strongly supported from direct observation of the remarkable spin polarization of the ligand $p$ bands near ${E}_{F}$, using x-ray magnetic circular dichroism (XMCD) measurements. The strength of XMCD signal from ligand element Te shows the highest value, as far as we recognize, among literature reporting finite XMCD signal for nonmagnetic element in any systems. Combining SX-ARPES and elemental selective XMCD measurements, we collectively point to an important role of giant spin polarization of the delocalized ligand Te states for realizing itinerant long-range ferromagnetism in ${\mathrm{Fe}}_{5}\mathrm{Ge}{\mathrm{Te}}_{2}$. Our finding provides a fundamental elemental selective viewpoint for understanding mechanism of itinerant ferromagnetism in low-dimensional compounds, which also leads to insight for designing exotic magnetic states by interfacial band engineering in heterostructures.

Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin-orbit interactions, and non-equilibrium conditions, while the role of electron exchange and correlations have been investigated only marginally until very recently. However, as recent experiments show that chiral molecules acquire a finite spin-polarization merely by being in contact with a metallic surface, these results suggest that electron correlations play a more crucial role for the emergence of the phenomenon than previously thought. Here, it is demonstrated that molecular vibrations give rise to molecular charge redistribution and accompanied spin-polarization when coupling a chiral molecule to a non-magnetic metal. It is, moreover, shown that enantiomer separation, due to spin-polarization intimately related to the chirality, can be understood in terms of the proposed model., Comment: Six pages, fours figures; submitted