Unified First-Principles Study of the Anomalous Hall Effect Based on Exact Muffin-Tin Orbitals

TL;DR

This paper presents a first-principles method based on EMTOs to analyze the anomalous Hall effect in bcc Fe, distinguishing different contributions and predicting temperature-dependent behavior of the Hall angle.

Contribution

Developed a novel first-principles approach using EMTOs to separate skew scattering, side jump, and intrinsic contributions to the anomalous Hall effect.

Findings

Successfully separated different contributions to the AHE in Fe.

Predicted temperature-dependent fluctuations in the anomalous Hall angle.

Proposed experimental conditions to observe the predicted effects.

Abstract

Based on the exact muffin-tin orbitals (EMTOs), we developed a first-principles method to calculate the current operators and investigated the anomalous Hall effect in bcc Fe as an example, with which we successfully separated the skew scattering contribution from the side jump and intrinsic contributions by fitting the scaling law with the introduction of sparse impurities. By investigating the temperature dependence of the anomalous Hall effect in bulk Fe, we predicted a fluctuated anomalous Hall angle as a function of temperature when considering only phonons, which, in the future, can be measured in experiments by suppressing magnon excitation, e.g., by applying a high external magnetic field.