相关论文: Direct Method for Calculating Temperature-Dependen…
A density functional theory based two-terminal scattering formalism that includes spin-orbit coupling and spin non-collinearity is described. An implementation using tight-binding muffin-tin orbitals combined with extensive use of sparse…
The quantitative description of the electrical resistivity of a magnetic material remains challenging to this day. Qualitatively, it is well understood that the temperature-induced lattice and spin disorder determines the temperature…
Finite temperature effects have a pronounced impact on the transport properties of solids. In magnetic systems, besides the scattering of conduction electrons by impurities and phonons, an additional scattering source coming from the…
The temperature dependence of the transport properties of the metallic phase of a frustrated Hubbard model on the hypercubic lattice at half-filling are calculated. Dynamical mean-field theory, which maps the Hubbard model onto a single…
The fundamental aspects of spin-dependent transport processes and their interplay with temperature gradients, as given by the spin Seebeck coefficient, are still largely unexplored and a multitude of contributing factors must be considered.…
We apply a new Kubo-Greenwood type formula combined with a generalized Feynman diagram- matic technique to report a first principles calculation of the thermal transport properties of disordered Fe_{1-x}Cr_{x} alloys. The diagrammatic…
Peculiarities of transport properties of three- and two-dimensional half-metallic ferromagnets are investigated, which are connected with the absence of spin-flip scattering processes. The temperature and magnetic field dependences of…
The finite-temperature transport properties of FeRh compounds are investigated by first-principles Density Functional Theory-based calculations. The focus is on the behavior of the longitudinal resistivity with rising temperature, which…
First-principles scattering calculations are used to investigate spin transport through interfaces between diffusive nonmagnetic metals where the symmetry lowering leads to an enhancement of the effect of spin-orbit coupling (SOC) and to a…
We present a novel finite-temperature second-order perturbation method incorporating spin-orbit coupling to investigate the temperature-dependent site-resolved contributions to the magnetocrystalline anisotropy energy (MAE), specifically…
Local charge and spin currents are evaluated from the solutions of fully relativistic quantum mechanical scattering calculations for systems that include temperature-induced lattice and spin disorder as well as intrinsic alloy disorder.…
Temperature-dependent magnetic properties of Nd$_2$Fe$_{14}$B permanent magnets, i.e., saturation magnetization $M_\text{s}(T)$, effective magnetic anisotropy constants $K_i^\text{eff}(T)$ ($i=1,2,3$), domain wall width $\delta_w(T)$, and…
Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated…
We present a detailed study on the (magneto)transport properties of as-cast and heat treated material UCu$_4$Pd. We find a pronounced sample dependence of the resistivity $\rho$ of as-cast samples, and reproduce the annealing dependence of…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…
Symmetry lowering at an interface leads to an enhancement of the effect of spin-orbit coupling and to a discontinuity of spin currents passing through the interface. This discontinuity is characterized by a "spin-memory loss" (SML)…
The effect of the electron-phonon interaction on magnetization relaxation is studied within the framework of first-principles scattering theory for Fe, Co, and Ni by displacing atoms in the scattering region randomly with a thermal…
Numerical calculations of lattice thermal conductivity are reported for the binary alloys NiPd and NiPt. The present work is a continuation of an earlier paper by us [PRB, 72, 214207 (2005)]which had developed a theoretical framework for…
We present an ab-initio study of the temperature-dependent longitudinal and anomalous Hall resistivities in the compensated collinear ferrimagnet Mn$_{1.5}$V$_{0.5}$FeAl. Its transport properties are calculated using the general fully…
Extended X-ray absorption fine structure (EXAFS) spectra are sensitive to thermal disorder and are often used to probe local lattice dynamics. Variations in interatomic distances induced by atomic vibrations are described by the…