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The electronic and topological properties of heterovalent and heterocrystalline a-Sn/CdTe(001) quantum wells (QWs) are studied in dependence on the thickness of α-Sn by means of ab initio calculations. We calculate the topological Z2 invariants of the respective bulk crystals, which identify α-Sn as strong three-dimensional (3D) topological insulators (TIs), whereas CdTe is a trivial insulator. We predict the existence of two-dimensional (2D) topological interface states between both materials and show that a topological phase transition from a trivial insulating phase into the quantum spin Hall (QSH) phase in the QW structures occurs at much higher thicknesses than in the HgTe case. The QSH effect is characterized by the localization, dispersion, and spin polarization of the topological interface states. We address the distinction of the 3D and 2D TI characters of the studied QW structures, which is inevitable for an understanding of the underlying quantum state of matter. The 3D TI nature is characterized by two-dimensional topological interface states, while the 2D phase exhibits one-dimensional edge states. The two different state characteristics are often intermixed in the discussion of the topology of 2D QW structures, especially, the comparison of ab initio calculations and experimental transport studies. [ABSTRACT FROM AUTHOR]

When spin-polarized electrons are reflected at a ferromagnetic surface, their spin-polarization vector exhibits a spin motion, comprised of an azimuthal precession and a polar rotation about the magnetization direction of the ferromagnetic material. It is shown that the angles of precession and of rotation are intimately related by dispersion relations. Comparison with experimental data verifies their applicability. Particular attention has to be paid to the presence of complex zeros of the spin-dependent electron reflectivity. [ABSTRACT FROM AUTHOR]

We obtain the critical magnetic field required for complete destruction of S-wave pairing in neutron matter, thereby setting limits on the pairing and superfluidity of neutrons in the crust and outer core of magnetars. We find that for fields B ⩾ 1017 G the neutron fluid is nonsuperfluid—if weaker spin 1 superfluidity does not intervene—a result with profound consequences for the thermal, rotational, and oscillatory behavior of magnetars. Because the dineutron is not bound in vacuum, cold dilute neutron matter cannot exhibit a proper BCS-BEC crossover. Nevertheless, owing to the strongly resonant behavior of the nn interaction at low densities, neutron matter shows a precursor of the BEC state, as manifested in Cooper-pair correlation lengths being comparable to the interparticle distance.We make a systematic quantitative study of this type of BCS-BEC crossover in the presence of neutron fluid spin polarization induced by an ultrastrong magnetic field. We evaluate the Cooper-pair wave function, quasiparticle occupation numbers, and quasiparticle spectra for densities and temperatures spanning the BCS-BEC crossover region. The phase diagram of spin-polarized neutron matter is constructed and explored at different polarizations. [ABSTRACT FROM AUTHOR]

The coupled kinetic equation for density and spin Wigner functions is derived including spin-orbit coupling, electric and magnetic fields, and self-consistent Hartree mean fields suited for SU(2) transport. The interactions are assumed to be with scalar and magnetic impurities as well as scalar and spin-flip potentials among the particles. The spin-orbit interaction is used in a form suitable for solid state physics with Rashba or Dresselhaus coupling, graphene, extrinsic spin-orbit coupling, and effective nuclear matter coupling. The deficiencies of the two-fluid model are worked out consisting of the appearance of an effective in-medium spin precession. The stationary solution of all these systems shows a band splitting controlled by an effective medium-dependent Zeeman field. The self-consistent precession direction is discussed and a cancellation of linear spin-orbit coupling at zero temperature is reported. The precession of spin around this effective direction caused by spin-orbit coupling leads to anomalous charge and spin currents in an electric field. Anomalous Hall conductivity is shown to consist of the known results obtained from the Kubo formula or Berry phases and a symmetric part interpreted as an inverse Hall effect. Analogously the spin-Hall and inverse spin-Hall effects of spin currents are discussed which are present even without magnetic fields showing a spin accumulation triggered by currents. The analytical dynamical expressions for zero temperature are derived and discussed in dependence on the magnetic field and effective magnetizations. The anomalous Hall and spin-Hall effect changes sign at higher than a critical frequency dependent on the relaxation time. [ABSTRACT FROM AUTHOR]

The spin and density response functions in the random phase approximation are derived by linearizing the kinetic equation including a magnetic field, the spin-orbit coupling, and mean fields with respect to an external electric field. Different polarizatio n functions appear describing various precession motions showing Rabi satellites due to an effective Zeeman field. The latter turns out to consist of the mean-field magnetization, the magnetic field, and the spin-orbit vector. The collective modes for charged and neutral systems are derived and a threefold splitting of the spin waves dependent on the polarization and spin- orbit coupling is shown. The dielectric function including spin-orbit coupling, polarization, and magnetic fields is presented analytically for long wavelengths and in the static limit. The dynamical screening length as well as the long-wavelength dielectric function shows an instability in charge modes, which are interpreted as spin segregation and domain formation. The spin response describes a crossover from damped oscillatory behavior to exponentially damped behavior dependent on the polarization and collision frequency. The magnetic field causes ellipsoidal trajectories of the spin response to an external electric field and the spin-orbit coupling causes a rotation of the spin axes. The spin-dephasing times are extracted and discussed in dependence on the polarization, magnetic field, spin-orbit coupling, and single-particle relaxation times. [ABSTRACT FROM AUTHOR]

We investigate charge conductance and spin and valley polarization along with the tunneling magnetoresistance (TMR) in silicene junctions composed of normal silicene and ferromagnetic silicene. We show distinct features of the conductances for parallel and antiparallel spin configurations and the TMR, as the ferromagnetic-normalferromagnetic junction is tuned by an external electric field. We analyze the behavior of the charge conductance and valley and spin polarizations in terms of the independent conductances of the different spins at the two valleys and the band structure of ferromagnetic silicene and show how the conductances are affected by the vanishing of the propagating states at one or the other valley. In particular, unlike in graphene, the band structures at the two valleys are independently affected by the spin in the ferromagnetic regions and lead to nonzero and, in certain parameter regimes, pure valley and spin polarizations, which can be tuned by the external electric field. We also investigate the oscillatory behavior of the TMR with respect to the strength of the barrier potential (both spin-independent and spin-dependent barriers) in the normal silicene region and note that in some parameter regimes, the TMR can even go from positive to negative values, as a function of the external electric field. [ABSTRACT FROM AUTHOR]

We discuss a platform for the synthetic realization of key physical properties of helical Tomonaga Luttinger liquids (HTLLs) with ultracold fermionic atoms in one-dimensional optical lattices. The HTLL is a strongly correlated metallic state where spin polarization and propagation direction of the itinerant particles are locked to each other. We propose an unconventional one-dimensional Fermi-Hubbard model which, at quarter filling, resembles the HTLL in the long wavelength limit, as we demonstrate with a combination of analytical (bosonization) and numerical (density matrix renormalization group) methods. An experimentally feasible scheme is provided for the realization of this model with ultracold fermionic atoms in optical lattices. Finally, we discuss how the robustness of the HTLL against backscattering and imperfections, well known from its realization at the edge of two-dimensional topological insulators, is reflected in the synthetic one-dimensional scenario proposed here. [ABSTRACT FROM AUTHOR]

Long-lived population storage in optically pumped levels of rare-earth ions doped into solids, referred to as persistent spectral hole burning, is of significant fundamental and technological interest. However, the demonstration of deep and persistent holes in rare-earth ion doped amorphous hosts, e.g., glasses, has remained an open challenge for many decades--a fact that motivates our work towards a better understanding of the interaction between impurities and vibrational modes in glasses. Here we report the observation and detailed characterization of such holes in an erbium-doped silica glass fiber cooled to below 1 K. We demonstrate population storage in electronic Zeeman sublevels of the erbium ground state with lifetimes up to 30 seconds and 80% spin polarization. In addition to its fundamental aspect, our investigation reveals a potential technological application of rare-earth ion doped amorphous materials, including at telecommunication wavelength. [ABSTRACT FROM AUTHOR]

We theoretically analyzed the effects of damping on spin torque induced oscillation in a spin torque oscillator with a perpendicularly magnetized free layer and an in-plane magnetized reference layer. It was found that there exists an unexpectedly small critical damping constant, above which no steady-state oscillation can be excited by spin torque. It was also found that the critical damping constant is almost independent of the anisotropy constants but increases with the spin polarization of the injected current. [ABSTRACT FROM AUTHOR]

We investigate the persistent currents, spin-polarized local density of states, and spectral functions of topological superconductors constructed by placing ferromagnetic impurities on top of an s-wave superconductor with Rashba spin-orbit interaction. We solve self-consistently for the superconducting order parameter and investigate both two-dimensional blocks and one-dimensional wires of ferromagnetic impurities, with the magnetic moments pointing both perpendicular and parallel to the surface. We find that the topologically protected edge states of ferromagnetic blocks give rise to spin-polarized edge currents, but that the total persistent current flows in opposite direction to what is expected from the dispersion relation of the edge states. We also show that the Majorana fermions at the end points of one-dimensional wires are spin polarized, which can be directly related to the spin polarization of the edge currents of two-dimensional blocks. Connections are also made to the physics of the Yu-Shiba-Rusinov states for zero-dimensional impurities. [ABSTRACT FROM AUTHOR]

We investigate theoretically the Andreev transport through a quantum dot strongly coupled with a normal metal/ferromagnet and a superconductor (N/F-QD-S), in which the interplay between the Kondo resonance and the Andreev bound states (ABSs) has not been clearly clarified yet. Here we show that the interference between the Kondo resonance and the ABSs modifies seriously the line shape of the Kondo resonance, which manifests as a Fano resonance. The ferromagnetic lead with spin polarization induces an effective field, which leads to splitting of both the Kondo resonance and the ABSs. The spin polarization together with the magnetic field applied provides an alternative way to tune the line shape of the Kondo resonances, which is dependent of the relative positions of the Kondo resonance and the ABSs. These results indicate that the interplay between the Kondo resonance and the ABSs can significantly affect the Andreev transport, which could be tested by experiments. [ABSTRACT FROM AUTHOR]

Employing spin-, time-, and energy-resolved photoemission spectroscopy, we present the first study on the spin polarization of a single electronic state after ultrafast optical excitation. Our investigation concentrates on the majority-spin component of the d-band-derived Gd(0001) surface state d2z↑. While its binding energy shows a rapid Stoner-like shift by 90 meV with an exponential time constant of tE = 0.6 ± 0.1 ps, the d2z↑ spin polarization remains nearly constant within the first picoseconds and decays with Ts = 15 ± 8 ps. This behavior is in clear contrast to the equilibrium phase transition, where the spin polarization vanishes at the Curie temperature. [ABSTRACT FROM AUTHOR]

We present the Usadel theory describing the superconducting proximity effect in heterostructures with a half-metallic layer. It is shown that the full spin polarization inside the half-metals gives rise to an additional component of the Green's function which results in the giant triplet spin-valve effect in superconductor (S)-ferromagnet (F)-half-metal (HM) trilayers and provides a natural explanation for the φ0-junction formation in the S/F/HM/F/S systems. In addition, we consider the exactly solvable model of the S/F/HM trilayers of atomic thickness and demonstrate that it reproduces the main features of the spin-valve effect found within the Usadel approach. Our results are shown to be in qualitative agreement with the recent experimental data on the spin-valve effect in MoGe/Ni/Cu/CrO2 hybrids [Singh et al., Phys. Rev. X 5, 021019 (2015)]. [ABSTRACT FROM AUTHOR]

The nonadiabatic contribution of environmental degrees of freedom yields an effective inertia of spin in the effective spin dynamics. In this paper, we study several aspects of the inertia of spin in metallic ferromagnets: (i) a concrete expression of the spin inertia ms: ms=ℏSc/(2gsd), where Sc is the spin polarization of conduction electrons and gsd is the sd coupling constant; (ii) a dynamical behavior of spin with inertia, discussed from the viewpoints of a spinning top and of a particle on a sphere; (iii) the behavior of spin waves and domain walls in the presence of inertia and the behavior of spin with inertia under a time-dependent magnetic field. [ABSTRACT FROM AUTHOR]

Recently, topological superconducting states have attracted much interest. In this paper, we consider a topological superconductor with Z2 topological mirror order [Y.-Y. Tai et al., Phys. Rev. B 91, 041111(R) (2015)] and s±-wave superconducting pairing symmetry, within a two-orbital model originally designed for iron-based superconductivity [Y.-Y. Tai et al., Europhys. Lett. 103, 67001 (2013)]. We predict the existence of gapless edge states. We also study the local electronic structure around an adsorbed interstitial magnetic impurity in the system, and find the existence of low-energy in-gap bound states even with a weak spin polarization on the impurity. We also discuss the relevance of our results to a recent scanning tunneling microscopy experiment on a Fe(Te,Se) compound with an adsorbed Fe impurity [J.-X. Yin et al., Nat. Phys. 11, 543 (2015)], for which our density functional calculations show the Fe impurity is spin polarized. [ABSTRACT FROM AUTHOR]

Defect-induced ferromagnetism has triggered a lot of investigations and controversies. The major issue is that the induced ferromagnetic signal is so weak that it can be sufficiently accounted for by trace contamination. To resolve this issue, we studied the variation of the magnetic properties of SiC after neutron irradiation with fluence covering four orders of magnitude. A large paramagnetic component has been induced and scales up with defect concentration, which can be well accounted for by uncoupled divacancies. However, the ferromagnetic contribution is still weak and only appears in the low fluence range of neutrons or after annealing treatments. First-principles calculations hint towards a mutually exclusive role of the concentration of defects: A higher defect concentration favors a larger magnetic interaction at the expense of spin polarization. Combining both experimental and first-principles calculation results, the defect-induced ferromagnetism can probably be understood as a local effect which cannot be scaled up with the volume. [ABSTRACT FROM AUTHOR]

We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co, and Ni) deposited on a Cu2N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an Anderson model derived from DFT. We use DFT to compare the structural, electronic, and magnetic properties of different transition metal adatoms on the surface. We find that the average occupation of the transition metal d shell, main contributor to the magnetic moment, is not quantized, in contrast with the quantized spin in the model Hamiltonians that successfully describe spin excitations in this system. In order to reconcile these two pictures, we build a zero bandwidth multi-orbital Anderson Hamiltonian for the d shell of the transition metal hybridized with the p orbitals of the adjacent nitrogen atoms, by means of maximally localized Wannier function representation of the DFT Hamiltonian. The exact solutions of this model have quantized total spin, without quantized charge at the d shell. We propose that the quantized spin of the models actually belongs to many-body states with two different charge configurations in the d shell, hybridized with the p orbital of the adjacent nitrogen atoms. This scenario implies that the measured spin excitations are not fully localized at the transition metal. [ABSTRACT FROM AUTHOR]

We study the dynamics of skyrmions under spin-transfer torque in Dzyaloshinskii-Moriya materials with easy-axis anisotropy. In particular, we study the motion of a topological skyrmion with skyrmion number Q = 1 and a nontopological skyrmionium with Q = 0 using their linear momentum, virial relations, and numerical simulations. The nontopological Q = 0 skyrmionium is accelerated in the direction of the current flow and it either reaches a steady state with constant velocity, or it is elongated to infinity. The steady-state velocity is given by a balance between current and dissipation and has an upper limit. In contrast, the topological Q = 1 skyrmion converges to a steady state with constant velocity at an angle to the current flow. When the spin current stops the Q = 1 skyrmion is spontaneously pinned, whereas the Q = 0 skyrmionium continues propagation. Exact solutions for the propagating skyrmionium are identified as solutions of equations given numerically in a previous work. Further exact results for propagating skyrmions are given in the case of the pure exchange model. The traveling solutions provide arguments that a spin-polarized current will cause rigid motion of a skyrmion or a skyrmionium. [ABSTRACT FROM AUTHOR]

Disorder plays a crucial role in spin dynamics in solids and condensed matter systems. We demonstrate that for a spin-orbit coupled Bose-Einstein condensate in a random potential two mechanisms of spin evolution that can be characterized as "precessional" and "anomalous" are at work simultaneously. The precessional mechanism, typical for solids, is due to the condensate displacement. The unconventional anomalous mechanism is due to the spin-dependent velocity producing the distribution of the condensate spin polarization. The condensate expansion is accompanied by a random displacement and fragmentation, where it becomes sparse, as clearly revealed in the spin dynamics. Thus, different stages of the evolution can be characterized by looking at the condensate spin. [ABSTRACT FROM AUTHOR]

We have experimentally identified the exchange-induced spin blockade in a GaAs double quantum dot. The transport is suppressed only when the eigenstates are well-defined singlet and triplet states, and thus sensitive to dynamic nuclear-spin polarization that causes singlet-triplet mixing. This gives rise to unusual current spectra, such as a sharp current dip and an asymmetric current profile near the triplet resonance of a double quantum dot. Numerical simulations suggest that the current dip is a signature of identical nuclear-spin polarization in the two dots, which is attractive for coherent spin manipulations in a material with nuclear spins. [ABSTRACT FROM AUTHOR]

Recently, the chiral-induced spin selectivity in molecular systems has attracted extensive interest among the scientific communities. Here, we investigate the effect of the gate voltage on spin-selective electron transport through the α-helical peptide/protein molecule contacted by two nonmagnetic electrodes. Based on an effective model Hamiltonian and the Landauer-Büttiker formula, we calculate the conductance and the spin polarization under an external electric field, which is perpendicular to the helix axis of the α-helical peptide/protein molecule. Our results indicate that both the magnitude and the direction of the gate field have a significant effect on the conductance and the spin polarization. The spin filtration efficiency can be improved by properly tuning the gate voltage, especially in the case of the strong dephasing regime. And the spin polarization increases monotonically with the molecular length without the gate voltage, which is consistent with the recent experiment, and presents oscillating behavior in the presence of the gate voltage. In addition, the spin selectivity is robust against the dephasing, the on-site energy disorder, and the space angle disorder under the gate voltage. Our results could motivate further experimental and theoretical works on the chiral-based spin selectivity in molecular systems. [ABSTRACT FROM AUTHOR]

We study the solutions of generic Hamiltonians exhibiting particle-hole mixing. We show that there exists a universal quantity that can describe locally the Majorana nature of a given state. This pseudo-spin-like two-component quantity is in fact a generalization of the Majorana polarization (MP) measure introduced by Stielet, Bena, and Simon [Phys. Rev. Lett. 108, 096802 (2012)], which was applicable only for some models with specific spin and symmetry properties. We apply this to an open two-dimensional Kitaev system, as well as to a one-dimensional topological wire. We show that the MP characterization is a necessary and sufficient criterion to test whether a state is a Majorana or not, and use it to numerically determine the topological phase diagram. [ABSTRACT FROM AUTHOR]

First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO3 (STO) under different doping conditions and densities have been conducted. The appearance of magnetism in oxygen-deficient STO is not determined solely by the presence of a single oxygen vacancy but by the density of free carriers and the relative proximity of the vacant sites. We find that while an isolated vacancy behaves as a nonmagnetic double donor, manipulation of the doping conditions allows the stability of a single-donor state, with emergent local moments coupled ferromagnetically by carriers in the conduction band. Strong local lattice distortions enhance the binding of this state. The energy of the in-gap local moment can be further tuned by orthorhombic strain. Consequently we find that the free-carrier density and strain are fundamental components to obtaining trapped spin-polarized electrons in oxygen-deficient STO, which may have important implications in the design of optical devices. [ABSTRACT FROM AUTHOR]

The spin polarization of Pt in Pt/NiFe2O4 and Pt/Fe bilayers is studied by interface-sensitive x-ray resonant magnetic reflectivity to investigate static magnetic proximity effects. The asymmetry ratio of the reflectivity is measured at the Pt L3 absorption edge using circular polarized x-rays for opposite directions of the magnetization at room temperature. The results of the 2% asymmetry ratio for Pt/Fe bilayers are independent of the Pt thickness between 1.8 and 20 nm. By comparison with ab initio calculations, the maximum magnetic moment per spin polarized Pt atom at the interface is determined to be (0.6±0.1) μB for Pt/Fe. For Pt/NiFe2O4 the asymmetry ratio drops below the sensitivity limit of 0.02 μB per Pt atom. Therefore, we conclude, that the longitudinal spin Seebeck effect recently observed in Pt/NiFe2O4 is not influenced by a proximity induced anomalous Nernst effect. [ABSTRACT FROM AUTHOR]

Transport in three-dimensional topological insulators relies on the existence of a spin-momentum locked surface state that encloses the insulating bulk. In this work we show how, in a topological insulator p-n junction, a magnetic field turns this surface state into an electronic Mach-Zehnder interferometer. Transmission of the junction can be tuned from zero to unity, resulting in virtually perfect visibility of the interference pattern, and the reflected and transmitted currents carry opposite spin polarization so that the junction also acts as a spin filter. Our setup therefore realizes a novel and highly tunable spintronic device where the effects of spin-momentum locking in topological insulator surface states can be probed directly in a transport experiment. [ABSTRACT FROM AUTHOR]

We consider theoretically a wide graphene ribbon that is attached on both ends to electronic reservoirs, which generally have different temperatures. The graphene ribbon is assumed to be deposited on a substrate that leads to a spin-orbit coupling of the Rashba type. We calculate the thermally induced charge current in the ballistic transport regime as well as the thermoelectric voltage (Seebeck effect). Apart from this, we also consider thermally induced spin current and spin polarization of the graphene ribbon. The spin currents are shown to have generally two components; one parallel to the temperature gradient and the other perpendicular to this gradient. The latter corresponds to the spin current due to the spin Nernst effect. Additionally, we also consider the heat current between the reservoirs due to transfer of electrons. [ABSTRACT FROM AUTHOR]

The observation of extensive fractional quantum Hall states in graphene brings out the possibility of more accurate quantitative comparisons between theory and experiment than previously possible, because of the negligibility of finite width corrections. We obtain an accurate phase diagram for differently spin-polarized fractional quantum Hall states, and also estimate the effect of Landau level mixing using the modified interaction pseudopotentials given in the literature. We find that the observed phase diagram is in good quantitative agreement with theory that neglects Landau level mixing, but the agreement becomes significantly worse when Landau level mixing is incorporated assuming that the corrections to the energies are linear in the Landau level mixing parameter λ. This implies that a first order perturbation theory in λ is inadequate for the current experimental systems, for which λ is typically on the order of or greater than one. We also test the accuracy of the composite-fermion theory and find that all lowest Landau level projection methods used in the literature are very accurate for the states of the form n/(2n + 1) but for the states at n/(2n - 1) the results are more sensitive to the projection method. An earlier prediction of an absence of spin transitions for the n/(4n + 1) states is confirmed by more rigorous calculations, and new predictions are made regarding spin physics for the n/(4n - 1) states. [ABSTRACT FROM AUTHOR]

Spin-dependent electronic transport through multiferroic Co/PbTiO3/Co tunnel junctions is studied theoretically in view of the recent observation of an inverse TMR in Co/PbTiO3/LaSrMnO3 heterostructures. Conductances calculated within the Landauer-Büttiker formalism yield a four-conductance state characterized by sizable positive tunnel magnetoresistances (TMR) and tunnel electroresistances (TER). The conductances depend crucially on the details of the electronic structure at the interfaces. In particular, the spin polarization of the tunneling electronic states is affected by the hybridization of orbitals and the associated charge transfer at both interfaces. Digital doping of the PbTiO3 barrier with Zr impurities at the TiO2/Co2 interface removes the excessive metalization of the barrier and significantly enhances the TMR but is not sufficient to switch the TMR's sign. Our results indicate that the origin of the TMR inversion might be attributed to the magnetoelectrically active LaSrMnO3/PbZr0.2Ti0.8O3 interface. [ABSTRACT FROM AUTHOR]

We establish a relation between the Raman response function in the B1g channel and the electronic contribution to the nematic susceptibility within the spin-driven approach to electron nematicity of the iron-based superconductors. The spin-driven nematic phase, characterized by the broken C4 symmetry, but unbroken O(3) spin-rotational symmetry, is generated by the presence of magnetic fluctuations associated with the striped phase. It occurs as a separate phase between Tm and Ts in systems where the structural and magnetic phase transitions are separated. Detecting the presence of nematic degrees of freedom in iron-based superconductors is a difficult task, since it involves measuring higher-order spin-correlation functions. We show that the nematic degrees of freedom manifest themselves in the experimentally measurable Raman response function. We calculate the Raman response function in the tetragonal phase in the large-N limit by considering higher-order Aslamazov-Larkin type of diagrams. They are characterized by a series of inserted quartic paramagnon couplings mediated by electronic excitations that resemble the nematic coupling constant of the theory. These diagrams effectively account for collisions between spin fluctuations. By summing an infinite number of such higher-order diagrams, we demonstrate that the electronic Raman response function shows a clear maximum at the structural phase transition in the B1g channel. Hence, the Raman response function can be used to probe nematic degrees of freedom. [ABSTRACT FROM AUTHOR]

To clarify the nature of correlations in Hund metals and its relationship with Mott physics we analyze the electronic correlations in multiorbital systems as a function of intraorbital interaction U, Hund's coupling JH, and electronic filling n. We show that the main process behind the enhancement of correlations in Hund metals is the suppression of the double occupancy of a given orbital, as it also happens in the Mott insulator at half-filling. However, contrary to what happens in Mott correlated states the reduction of the quasiparticle weight Z with JH can happen in spite of increasing charge fluctuations. Therefore, in Hund metals the quasiparticle weight and the mass enhancement are not good measurements of the charge localization. Using simple energetic arguments we explain why the spin polarization induced by Hund's coupling produces orbital decoupling. We also discuss how the behavior at moderate interactions, with correlations controlled by the atomic spin polarization, changes at large U and JH due to the proximity to a Mott insulating state. [ABSTRACT FROM AUTHOR]

Anderson's localization on the edge of a two-dimensional time reversal topological insulator (TI) is studied. For the noninteracting case, the topological protection acts according to the Z2 classification, leading to conducting and insulating phases for odd and even fillings, respectively. In the presence of repulsive interaction, the phase diagram is notably changed. We show that for sufficiently strong values of the interaction, the zero-temperature fixed point of the TI is conducting, including the case of even fillings. We compute the boundaries of the conducting phase for various fillings and types of disorder. [ABSTRACT FROM AUTHOR]

The construction of a multichannel vector spin polarimeter requires the development of a detector type, which works as a spin polarizing mirror with high reflectivity and asymmetry properties to guarantee for a high figure of merit. Technical realizations are found by spin-polarized electron scattering from a surface at low energies. A very promising candidate for such a detector suitable material consists of an oxygen passivated iron surface, as for example a Fe(001)-p(1×1)O surface. We investigate in detail the electronic structure of this adsorbate system and calculate the corresponding spin-polarized low-energy electron scattering. Our theoretical study is based on the fully relativistic SPRKKR method in the framework of density functional theory. Furthermore, we use the local spin-density approximation in combination with dynamical mean field theory to determine the electronic structure of Fe(001)-p(1×1)O and demonstrate that a significant impact of correlation effects occurs in the calculated figure of merit. [ABSTRACT FROM AUTHOR]

We demonstrate the existence of metallic spin density waves (SDWs) in the Kondo lattice model on a square lattice for a wide range of parameters by means of real space dynamical mean-field theory. In these SDWs, the spin polarization as well as the charge density depend on the lattice site and are modulated along one direction of the square lattice. We show that within this phase of metallic SDWs the Fermi surface changes from small to large, when the coupling strength is increased. Furthermore, the transition between the large Fermi-surface SDW phase and the paramagnetic phase is of second order, while the transition between the small Fermi-surface SDW phase and the paramagnetic phase is of first order. A local quantum critical point is thus avoided in our calculations by undergoing a first-order phase transition. [ABSTRACT FROM AUTHOR]

We propose a method to compute the transmission through correlated heterostructures by combining density functional and many-body dynamical mean field theories. The heart of this combination consists in porting the many-body self-energy from an all electron basis into a pseudopotential localized atomic basis set. Using this combination we study the effects of local electronic interactions and finite temperatures on the transmission across the Cu4CoCu4 metallic heterostructure. It is shown that as the electronic correlations are taken into account via a local but dynamic self-energy, the total transmission at the Fermi level gets reduced (predominantly in the minority-spin channel), whereby the spin polarization of the transmission increases. The latter is due to a more significant d-electron contribution, as compared to the noncorrelated case in which the transport is dominated by s and p electrons. [ABSTRACT FROM AUTHOR]

We carry out a systematic theoretical investigation of magnetocrystalline anisotropy (MCA) of L10 FePt clusters with alternating Fe and Pt planes along the (001) direction. The clusters studied contain 30-484 atoms. We calculate the structural relaxation and magnetic moment of each cluster by using ab initio spin-polarized density functional theory, and the MCA with both the self-consistent direct method and the torque method. We find the two methods give equivalent results for all the structures examined. We find that bipyramidal clusters whose central layer is Pt have higher MCA than their same-sized counterparts whose central layer is Fe. This results from the fact that the Pt atoms in such configurations are coordinated with more Fe atoms than in the latter. By thus participating in more instances of hybridization, they contribute higher orbital moments to the overall MCA of the unit. Our findings suggest that by properly tailoring the structure one can avoid encapsulating the FePt L10 nanoparticles, as has been proposed earlier, to protect a high and stable magnetic anisotropy. Additionally, using a simple model to capture the thermal behavior, we predict that a five-layered nanoparticle with approximately 700 atoms can be expected to be useful in magnetic recording applications at room temperature. [ABSTRACT FROM AUTHOR]

The coupling of spin and valley physics is nowadays regarded as a promising route toward next-generation spintronic and valleytronic devices. In the aim of engineering functional properties for valleytronic applications, we focus on the ferroelectric heterostructure BiAlO3/BiIrO3, where the complex interplay among a trigonal crystal field, layer degrees of freedom, and spin-orbit coupling mediates a strong spin-valley coupling. Furthermore, we show that ferroelectricity provides a nonvolatile handle to manipulate and switch the emerging valley-contrasting spin polarization. [ABSTRACT FROM AUTHOR]

The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-generalized-gradient approximation (meta-GGA) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can. It is also exact or nearly exact for a set of "appropriate norms," including rare-gas atoms and nonbonded interactions. This strongly constrained and appropriately normed meta-GGA achieves remarkable accuracy for systems where the exact exchange-correlation hole is localized near its electron, and especially for lattice constants and weak interactions. [ABSTRACT FROM AUTHOR]

Dynamic nuclear polarization (DNP) is a promising strategy for generating a significantly increased nonthermal spin polarization in nuclear magnetic resonance (NMR) and its applications that range from medicine diagnostics to material science. Being a genuine nonequilibrium effect, DNP circumvents the need for strong magnetic fields. However, despite intense research, a detailed theoretical understanding of the precise mechanism behind DNP is currently lacking. We address this issue by focusing on a simple instance of DNP—so-called solid effect DNP—which is formulated in terms of a quantum central spin model where a single electron is coupled to an ensemble of interacting nuclei. We show analytically that the nonequilibrium buildup of polarization heavily relies on a mechanism which can be interpreted as kinetically constrained diffusion. Beyond revealing this insight, our approach furthermore permits numerical studies of ensembles containing thousands of spins that are typically intractable when formulated in terms of a quantum master equation. We believe that this represents an important step forward in the quest of harnessing nonequilibrium many-body quantum physics for technological applications. [ABSTRACT FROM AUTHOR]

We demonstrate that the charge-spin conversion efficiency of topological insulators (TI) can be experimentally determined by injecting spin-polarized tunneling electrons into a TI. Through a comparative study between bismuth selenide and bismuth antimony telluride, we verified the topological-surface-state origin of the observed giant spin signals. By injecting energetic electrons into bismuth selenide, we further studied the energy dependence of the effective spin polarization at the TI surface. The experimentally verified large spin polarization, as well as our calculations, provides new insights into optimizing TI materials for near room-temperature spintronic applications. [ABSTRACT FROM AUTHOR]

The interface of graphene with ferromagnets is highly relevant for spintronics, because graphene on Co(0001) shows a largely intact Dirac cone and strong hybridization with Co 3d states breaking the sublattice symmetry that had been considered mutually exclusive. Here we show by spin- and angle-resolved photoemission that the Dirac cone and Dirac point are also highly spin polarized (~-25%), which reinforces the puzzling issue of a strong graphene-substrate interaction. The problem is solved by our ab initio calculations which show that (i) the upper and lower halves of the Dirac cone belong to different sublattices and (ii) one half is spin polarized by spin-dependent hybridization because it is situated at the edge of a minority-spin band gap of the Co substrate. [ABSTRACT FROM AUTHOR]

Until recently, spin polarization in nonmagnetic materials was the exclusive territory of noncentrosymmetric structures. It was recently shown that a form of "hidden spin polarization" (named the "Rashba-2" or "R-2" effect) could exist in globally centrosymmetric crystals provided the individual layers belong to polar point group symmetries. This realization could considerably broaden the range of materials that might be considered for spin-polarization spintronic applications to include the hitherto "forbidden spintronic compound" that belongs to centrosymmetric symmetries. Here we take the necessary steps to transition from such general, material-agnostic condensed matter theory arguments to material-specific "design principles" that could aid future laboratory search of R-2 materials. Specifically, we (i) classify different prototype layered structures that have been broadly studied in the literature in terms of their expected R-2 behavior, including the Bi2Se3-structure type (a prototype topological insulator), MoS2-structure type (a prototype valleytronic compound), and LaBiOS2-structure type (a host of superconductivity upon doping); (ii) formulate the properties that ideal R-2 compounds should have in terms of combination of their global unit cell symmetries with specific point group symmetries of their constituent "sectors"; and (iii) use first-principles band theory to search for compounds from the prototype family of LaOBiS2-type structures that satisfy these R-2 design metrics. We initially consider both stable and hypothetical M'OMX2 (M': Sc, Y, La, Ce, Pr, Nd, Al, Ga, In, Tl; M: P, As, Sb, Bi; X: S, Se, Te) compounds to establish an understanding of trends of R-2 with composition, and then indicate the predictions that are expected to be stable and synthesizable. We predict large spin splittings (up to ~200meV for holes in LaOBiTe2) as well as surface Rashba states. Experimental testing of such predictions is called for. [ABSTRACT FROM AUTHOR]

We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calculated from first principles. For Fe, the agreement with experiment is limited by how well the magnetization (of itinerant ferromagnets) can be calculated as a function of temperature. By introducing a simple Debye-like model of spin disorder parameterized to reproduce the experimental magnetization, the temperature dependence of the average resistivity, the anisotropic magnetoresistance, and the spin polarization of a Ni80Fe20 alloy are calculated and found to be in good agreement with existing data. Extension of the method to complex, inhomogeneous materials as well as to the calculation of other finite-temperature physical properties within the adiabatic approximation is straightforward. [ABSTRACT FROM AUTHOR]

We report nearly complete preservation of "spin memory" between optical absorption and photoluminescence (PL) in nanometer slabs of GaSe pumped with up to 0.2 eV excess energy. At cryogenic temperatures, the initial degree of circular polarization (ρ0) of PL approaches unity, with the major fraction of the spin polarization decaying with a time constant >500 ps in sub-100-nm GaSe nanoslabs. Even at room temperature, ρ0 as large as 0.7 is observed, while pumping 1 eV above the band edge yields ρ0=0.15. Angular momentum preservation for both electrons and holes is due to the separation of the nondegenerate conduction and valence bands from other bands. In contrast to valley polarization in atomically thin transition-metal dichalcogenides, here optical spin polarization is preserved in nanoslabs of 100 layers or more of GaSe. [ABSTRACT FROM AUTHOR]

We analyze theoretically the optical generation of a spin-polarized charge current (photogalvanic effect) and spin polarization in graphene with Rashba spin-orbit coupling. An external magnetic field is applied in the graphene plane, which plays a crucial role in the mechanism of current generation. We predict a highly efficient resonant photogalvanic effect in a narrow frequency range that is determined by the magnetic field. A relatively less efficient photogalvanic effect appears in a broader frequency range, determined by the electron concentration and spin-orbit coupling strength. [ABSTRACT FROM AUTHOR]