相关论文: Calculation of intrinsic spin Hall conductivity by…

We present a method to compute the intrinsic spin Hall conductivity from first principles using an interpolation scheme based on maximally-localized Wannier functions. After obtaining the relevant matrix elements among the ab initio Bloch…

A fully relativistic description of the spin-orbit induced spin Hall effect is presented that is based on Kubo's linear response formalism. Using an appropriate operator for the spin current density a Kubo-St\v{r}eda-like equation for the…

The intrinsic anomalous Hall effect in ferromagnets depends on subtle spin-orbit-induced effects in the electronic structure, and recent ab-initio studies found that it was necessary to sample the Brillouin zone at millions of k-points to…

A key challenge in manipulating the magnetization in heavy-metal/ferromagnetic bilayers via the spin-orbit torque is to identify materials that exhibit an efficient charge-to-spin current conversion. Ab initio electronic structure…

Intrinsic spin Hall conductivities are calculated for strong spin-orbit Bi$_{1-x}$Sb$_x$ semimetals, from the Kubo formula and using Berry curvatures evaluated throughout the Brillouin zone from a tight-binding Hamiltonian. Nearly-crossing…

The intrinsic spin Hall conductivity of a two-dimensional gas confined to SrTiO$_3$, such as occurs at an LaAlO$_3$/SrTiO$_3$ interface, is calculated from the Kubo formula. The effect of strain in the [001] (normal to the quantum well…

The intrinsic spin Hall conductivity of typical topological insulators Sb$_2$Se$_3$, Sb$_2$Te$_3$, Bi$_2$Se$_3$, and Bi$_2$Te$_3$ in the bulk form, is calculated from first-principles by using density functional theory and the linear…

Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemented an automated Wannierization with spin-orbit coupling on…

The spin Hall conductivity (SHC) and anomalous Hall conductivity (AHC) in more than 120 full Heusler compounds are calculated using density functional theory in a high-throughtput way. The electronic structures are mapped to the Wannier…

We report a comprehensive study on the intrinsic spin Hall conductivity (SHC) of semimetals MoTe2 and WTe2 by ab initio calculation. Large SHC and desirable spin Hall angles have been discovered, due to the strong spin orbit coupling effect…

Designing materials with enhanced spin charge conversion, i.e., with high spin Hall conductivity (SHC) and low longitudinal electric conductivity (hence large spin Hall angle (SHA)), is a challenging task, especially in the presence of a…

We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more…

The spin Hall (SH) effect is widely understood as a phenomoenon in which spin current flows perpendicular to an electric field. In the presence of a spin-orbit coupling, however, spin current is ambiguous, and the SH conductivity depends on…

We study the intrinsic spin Hall effect (SHE) based on the orbitally degenerate periodic Anderson model, which is an effective model for heavy fermion systems. In the very low resistivity regime, the magnitude of the intrinsic spin Hall…

We propose a spin Hall effect (SHE) enhancement mechanism due to Kramers-Weyl point (KWP) alignment in chiral topological semimetals with high Chern numbers (CNs). Through model Hamiltonian calculations, we identify enhancements in the…

Spin-to-charge current interconversions are widely exploited for the generation and detection of pure spin currents and are key ingredients for future spintronic devices including spin-orbit torques and spin-orbit logic circuits. In case of…

More than a decade after the first theoretical and experimental studies of the spin Hall conductivity (SHC) of Pt, both its dominant origin and amplitude remain in dispute. Resolving these questions is of fundamental importance for…

The spin Hall effect of a Dirac Hamiltonian system is studied using semiclassical analyses and the Kubo formula. In this system, the spin Hall conductivity is dependent on the definition of spin current. All components of the spin Hall…

We study the origin of the intrinsic spin Hall conductivity (SHC) and the d-orbital Hall conductivity (OHC) in Pt based on a multiorbital tight-binding model with spin-orbit interaction. We find that the SHC reaches 1000 \hbar/e\Omega cm…

An {\it ab initio} relativistic band structure calculation of spin Hall conductivity (SHC) ($\sigma_{xy}^z$) in Pd and Au metals has been performed. It is found that at low temperatures, intrinsic SHCs for Pd and Au are, respectively, $\sim…