在用vasp计算 Spin-Orbit-Coupling，1. 其中OUTCAR给出的 旋轨耦合的信息是：Spin-Orbit-Coupling ...
We present a novel methodology to identify topologically non-trivial materials based on band inversion induced by spin-orbit coupling (SOC) effect. Specifically, we compare the density functional theory (DFT) based wavefunctions with and without spin-orbit coupling and compute the 'spin-orbit-...
The second applies to crystals with broken inversion symmetry and tends to be comparatively weaker, as it originates from the relativistic spin–orbit coupling (SOC)16,17,18,19. A recent theory work based on spin-symmetry classification has identified an unconventional magnetic phase, dubbed alter...
vasp 加上spin-orbit coupling算能带时的K点怎样取
The effect of the Rashba spin-orbit coupling on the ground-state energy of polaron in a parabolic quantum dot 热度: nmat.2018-A conductive topological insulator with large spin Hall effect for ultralow power spin-orbit torque switching
(MSGs)11,12. These groups completely lock the rotational operations in spin space and real space. Nevertheless, the magnon dispersions, especially in collinear magnets with small spin–orbit coupling (SOC) effects (for example, the Dzyaloshinskii–Moriya interaction19,20), predominantly depend on ...
we obtain either zero or small spin–orbit coupling matrix elements between the states on CASSCF-NEVPT2 level of theory, see Table1, left column. The nonzero elements are due to the JT effect yielding weak couplings between states. On the other hand, strain and out-of-plane distortions may...
Effect of Residual Carbon on Spin-Polarized Coupling at a Graphene/Ferromagnet Interface. Adv. Electron. Mater. 2023, 9, 2300031. [Google Scholar] [CrossRef] Weser, M.; Voloshina, E.N.; Horn, K.; Dedkov, Y.S. Electronic structure and magnetic properties of the graphene/Fe/Ni(111) ...
QSH insulator, also known as 2D topological insulator (TI), with insulating bulk but conducting edge states, can carry dissipationless spin currents which is realized by the spin orbit coupling (SOC) rather than an external magnetic field in the quantum Hall effect. As the first concept QSH ...
We present a novel methodology to identify topologically non-trivial materials based on band inversion induced by spin-orbit coupling (SOC) effect. Specifically, we compare the density functional theory (DFT) based wavefunctions with and without spin-orbit coupling and compute the 'spin-orbit-...