Related papers: Exchange torque in noncollinear spin density funct…
Based on our derivation of finite temperature reduced density matrix functional theory and the discussion of the performance of its first-order functional this work presents several different correlation-energy functionals and applies them…
Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the…
Spin angular momentum transfer in magnetic bilayers offers the possibility of ultrafast and low-loss operation for next-generation spintronic devices. We report the field- and temperature- dependent measurements on the magnetization…
Motivated by a need to understand spin-momentum transport in CPP (current perpendicular to the plane) structures, a quantum field theoretical treatment of spin-spin interactions in ferromagnets is presented. The sd interaction of the…
We show that deep neural networks can be integrated into, or fully replace, the Kohn-Sham density functional theory scheme for multi-electron systems in simple harmonic oscillator and random external potentials with no feature engineering.…
We derive nonstrange baryon-baryon scattering amplitudes in the nonrelativistic quark model using the ``quark Born diagram" formalism. This approach describes the scattering as a single interaction, here the one-gluon-exchange (OGE)…
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…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
An antiferromagnet is a promising material for spin-orbit torque generation. Earlier studies of the spin-orbit torque in an antiferromagnet are limited to collinear spin configurations. We calculate the spin-orbit torque in an…
We study the behavior of non-equilibrium spin density and spin-orbit torque in a topological insulator - antiferromagnet heterostructure. Unlike ferromagnetic heterostructures where Dirac cone is gapped due to time-reversal symmetry…
We investigate an interfacial spin-transfer torque and $\beta$-term torque with alternating current (AC) parallel to a magnetic interface. We find that both torques are resonantly enhanced as the AC frequency approaches to the exchange…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
We present and test a new approximation for the exchange-correlation (xc) energy of Kohn-Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free…
Thermally-driven spin-transfer torques have recently been reported in electrically insulating ferromagnet$|$normal-metal heterostructures. In this paper, we propose two physically distinct mechanisms for such torques. The first is a local…
Reporting extensions of a recently developed approach to density functional theory with correct long-range be-havior (Phys. Rev. Lett. 94, 043002 (2005)). The central quantities are a splitting functional gamma[n] and a complementary…
We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extension of the Kohn-Sham scheme. A first approximation consists…
We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…
The exact ground-state exchange-correlation functional of Kohn-Sham density functional theory yields the exact transmission through an Anderson junction at zero bias and temperature. The exact impurity charge susceptibility is used to…
The construction of density-functional approximations is explored by modeling the adiabatic connection em locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models…
Antiferromagnets (AFs) are prospective for next-generation high-density and high-speed spintronic applications due to their negligible stray field and ultrafast spin dynamics, notwithstanding the challenges in detecting and manipulating AF…