Spin Hall Conductivity and Anomalous Hall Conductivity in Full Heusler compounds

TL;DR

This study uses high-throughput density functional theory calculations to analyze the spin Hall and anomalous Hall conductivities in over 120 full Heusler compounds, identifying promising materials for spintronic applications.

Contribution

It provides a comprehensive high-throughput computational approach to evaluate SHC and AHC in full Heusler compounds, revealing electronic structure details crucial for material screening.

Findings

Cu2CoSn, Co2MnAl, and Co2MnGa have high SHC and AHC values.

The mechanisms of SHC and AHC are linked to detailed electronic structures, not just elemental properties.

High-throughput calculations effectively identify potential spintronic materials.

Abstract

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 basis and the linear response theory is used to get the conductivity. Our results show that the mechanism under the SHC or AHC cannot be simply related to the valence electron numbers or atomic weights, is related to the very details of the electronic structure, which can only be obtained by calculations. A high throughput calculation is efficient to screen out the desired materials. According to our present results, Cu2CoSn, as well as Co2MnAl and Co2MnGa are candidates in spintronic materials regarding to their high SHC and AHC values, which can benefit the spin-torque-driven nanodevices.