Related papers: Comparison of exact-exchange calculations for soli…
Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is…
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…
The general classical equation of spin motion is rigorously derived for a particle with electric and magnetic charges and dipole moments in electromagnetic fields. The equation describing the spin motion relative to the momentum direction…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
A characteristic feature of the Gaussian approximation in the functional-integral approach to the spin-fluctuation theory is the jump phase transition to the paramagnetic state. We eliminate the jump and obtain a continuous second-order…
Spin Hall effects interconvert spin- and charge currents due to spin-orbit interaction, which enables convenient electrical generation and detection of diffusive spin currents and even collective spin excitations in magnetic solids. Here,…
The stability of the nonmodulated martensitic phase, the austenitic Fermi surface and the phonon dispersion relations for ferromagnetic Ni$_2$MnGa are studied using density functional theory. Exchange-correlation effects are considered with…
Theory of spin-charge conversion effects in spintronics are presented in terms of correlation functions of physical observables, spin and electric current. Direct and inverse spin Hall effects and spin pumping effect are studied considering…
Standard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even…
When focusing on a few essential bands in an effective description of a material to calculate observable quantities, the respective operators have to be adjusted accordingly. Ignoring contributions arising from integrating out remote bands…
We analyze the spin-orbit coupling term in the nuclear energy density functional in terms of a zero-range NN-contact interaction and finite-range contributions from two-pion exchange. We show that the strength of the spin-orbit contact…
Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals which explicitly depend on the current density have been…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We report magnetocrystalline anisotropy of pure and Fe/Si substituted SmCo5. The calculations were performed using the advanced density functional theory (DFT) including onsite electron-electron correlation and spin orbit coupling. Si…
The electron and hole states in a CdTe quantum dot containing a single magnetic impurity in an external magnetic field are investigated, using the multiband approximation which includes the heavy hole-light hole coupling effects. The…
The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition…
A new microscopic mechanism of the magneto-electric (ME) effect based on the spin supercurrent is theoretically presented for non-collinear magnets. The close analogy between the superconductors (charge current) and magnets (spin current)…
We review recent theoretical developments about the role of spins, electron-electron interactions, and spin-orbit coupling in metal nanoparticles and semiconductor quantum dots. For a closed system, in the absence of spin-orbit coupling or…
The modern quantum theory of magnetism in solids is getting commonly derived using Green's functions formalism. The popularity draws itself from remarkable opportunities to capture the microscopic landscape of exchange interactions,…
The use of electric fields applied across magnetic heterojunctions that lack spatial inversion symmetry has been previously proposed as a non-magnetic mean of controlling localized magnetic moments through spin-orbit torques (SOT). The…