First-principles evaluation of intrinsic, side-jump, and skew-scattering parts of anomalous Hall conductivities in disordered alloys

TL;DR

This paper introduces a first-principles method to separately evaluate the intrinsic, side-jump, and skew-scattering contributions to anomalous Hall conductivity in disordered alloys, validated on FePt and FePd.

Contribution

The paper presents a novel computational scheme to decompose anomalous Hall conductivity into microscopic contributions using the TB-LMTO method with CPA.

Findings

Each contribution shows reasonable dependence on electron scattering.

The method accurately evaluates different origins of anomalous Hall conductivity.

Validation on FePt and FePd alloys confirms the approach's effectiveness.

Abstract

We develop a first-principles procedure for the individual evaluation of the intrinsic, side-jump, and skew-scattering contributions to the anomalous Hall conductivity $\sigma_{xy}$. This method is based on the different microscopic conductive processes of each origin of $\sigma_{xy}$ in the Kubo--Bastin formula. We also present an approach for implementing this scheme in the tight-binding linear muffin-tin orbital (TB-LMTO) method with the coherent potential approximation (CPA). The validity of this calculation method is demonstrated for disordered FePt and FePd alloys. We find that the estimated value of each origin of $\sigma_{xy}$ exhibits reasonable dependencies on the electron scattering in these disordered alloys.