X-Ray Magnetic Circular Dichroism at the K edge of Mn3GaC

TL;DR

This paper uses ab initio calculations to analyze the origin of XMCD spectra at the K edges of Mn and Ga in Mn3GaC, revealing the mechanisms of orbital polarization and validating a sum rule.

Contribution

It provides a detailed theoretical analysis of XMCD spectra at the K edges in Mn3GaC, elucidating the orbital polarization mechanism and confirming a sum rule.

Findings

Excellent agreement between calculated and experimental XMCD spectra.

Identified the origin of spectral structures and orbital polarization.

Discussed a sum rule linking XMCD spectra to orbital moments.

Abstract

We theoretically investigate the origin of the x-ray magnetic circular dichroism (XMCD) spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn3GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.