Electronic structure and X-ray spectroscopy of Cu$_{2}$MnAl$_{1-x}$Ga$_{x}$

TL;DR

This study uses first-principles calculations to analyze the electronic structure and X-ray spectra of Cu$_{2}$MnAl$_{1-x}$Ga$_{x}$, emphasizing the importance of electron-core hole interactions for accurate spectral descriptions.

Contribution

It introduces a relativistic multiscattering Green function approach to study the electronic and spectroscopic properties of Cu$_{2}$MnAl$_{1-x}$Ga$_{x}$, highlighting the role of electron-core hole interactions.

Findings

Electron-core hole interaction is crucial for accurate optical spectra.

The approach successfully describes X-ray absorption and magnetic circular dichroism spectra.

Results align with existing experimental data.

Abstract

We explore the electronic and related properties of Cu$_{2}$MnAl$_{1-x}$Ga$_{x}$ with a first-principles, relativistic multiscattering Green function approach. We discuss our results in relation to existing experimental data and show that the electron-core hole interaction is essential for the description of the optical spectra especially in describing the X-ray absorption and magnetic circular dichroism spectra at the L$_{2,3}$ edges of Cu and Mn.