Ab Initio Theory of Scattering-Independent Anomalous Hall Effect

TL;DR

This paper presents a first-principles method to calculate the scattering-independent anomalous Hall conductivity, accurately matching experimental results and capturing previously missing side-jump contributions.

Contribution

It introduces a novel ab initio approach to compute the full scattering-independent AHC directly from electronic structure, including side-jump effects, for various materials.

Findings

Calculated AHC agrees with experimental data.

Successfully captures side-jump contributions.

Enables predictive modeling of the anomalous Hall effect.

Abstract

We report on first-principles calculations of the side-jump contribution to the anomalous Hall conductivity (AHC) directly from the electronic structure of a perfect crystal. We implemented our approach for a short-range scattering disorder model within the density functional theory and computed the full scattering-independent AHC in elemental bcc Fe, hcp Co, fcc Ni, and L1o FePd and FePt alloys. The full AHC thus calculated agrees systematically with experiment to a degree unattainable so far, correctly capturing the previously missing elements of side-jump contributions, hence paving the way to a truly predictive theory of the anomalous Hall effect and turning it from a characterization tool to a probing tool of multi-band complex electronic band structures.