Related papers: Physical spin torques from exactly constrained exc…
The spin density wave (SDW) state of the uniform electron gas is investigated in the exact exchange approximation of noncollinear spin density functional theory (DFT). Unlike in Hartree-Fock theory, where the uniform paramagnetic state of…
The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…
The classical Bloch equations of spin magnetization transport is extended to fully time-dependent and highly-nonlinear nonequilibrium spin magnetization quantum distribution function transport (SMQDFT) equations. The relevant variables are…
Time-dependent spin density functional theory (TD-SDFT) allows the theoretical description of spin and magnetization dynamics in electronic systems from first quantum mechanical principles. TD-SDFT accounts for electronic interaction…
In this paper we show that the spin transfer torque can be described by a pseudo magnetic field, proportional to the magnetic moment of the itinerant electrons that enters the Landau-Lifshitz-Gilbert equation in the same way as other…
We present a microscopic theory of spin torque due to diffusive spin currents induced by spin accumulation. The obtained expression is a natural extension of the existing one due to 'local' spin currents associated with ordinary electric…
The influence of acceleration and rotation on spintronic applications is theoretically investigated. In our formulation, considering a Dirac particle in a non-inertial frame, different spin related aspects are studied. The spin current…
In systems with strong spin-orbit coupling, the relationship between spin-transfer torque and the divergence of the spin current is generalized to a relation between spin transfer torques, total angular momentum current, and mechanical…
A complete set of the generalized drift-diffusion equations for a coupled charge and spin dynamics in ferromagnets in the presence of extrinsic spin-orbit coupling is derived from the quantum kinetic approach, covering major transport…
The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero…
An exact solution is derived for the wave function of an electron in a semiconductor quantum wire with spin-orbit interaction and driven by external time dependent harmonic confining potential. The formalism allows analytical expressions…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
Spin transport in magnetic tunnel junctions in the presence of spin diffusion is considered theoretically. Combining ballistic tunneling across the barrier and diffusive transport in the electrodes, we solve the spin dynamics equation in…
In this work, we extend the source-free (SF) exchange correlation (XC) functional developed by Sangeeta Sharma and co-workers to plane-wave density functional theory (DFT) based on the projector augmented wave (PAW) method. This constraint…
It is shown that, contrary to widely held beliefs, the potentials of spin-density-functional theory (SDFT) are not unique functionals of the spin densities. Explicit examples of distinct sets of potentials with the same ground-state…
The standard spin-transfer torque (STT)---where spin-polarized current drives dynamics of magnetization viewed as a classical vector---requires noncollinearity between electron spins carried by the current and magnetization of a…
Spin-orbit coupling in inversion-asymmetric magnetic crystals and structures has emerged as a powerful tool to generate complex magnetic textures, interconvert charge and spin under applied current, and control magnetization dynamics.…
In this work, we generalize the local spin analysis of Clark and Davidson [J. Chem. Phys. 115(16), 7382 (2001)] for the partitioning of the expectation value of the molecular spin square operator, $\langle S^2 \rangle$, into atomic…
The interplay between spin and heat currents at magnetic insulator|nonmagnetic metal interfaces has been a subject of much scrutiny because of both fundamental physics and the promise for technological applications. While ferrimagnetic and,…
Novel noncollinear antiferromagnets with spontaneous time-reversal symmetry breaking, nontrivial band topology, and unconventional transport properties have received immense research interest over the past decade due to their rich physics…