Wannier interpolation of spin accumulation coefficient

TL;DR

This paper introduces an  initio computational scheme for the spin accumulation coefficient, providing a new way to analyze the spin Hall effect with high precision using Wannier90 software.

Contribution

The paper develops a novel  initio method for calculating the spin accumulation coefficient, offering an alternative indicator for the spin Hall effect that accounts for spin current ambiguity.

Findings

Implemented into Wannier90 software for high-precision calculations

Provides an alternative measure for the spin Hall effect

Enhances understanding of spin accumulation in materials

Abstract

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 the definition of spin current. In this article, we develop an \textit{ab initio} computational scheme for the spin accumulation coefficient, which characterizes the spin accumulation and would be an alternative indicator of the SH effect. The proposed method has been implemented into an open-source software Wannier90 and serves high-precision \textit{ab initio} research on the SH effect.