The study of electronic and magnetic properties of the partially disordered pseudo-Heusler alloy Co2Fe0.4Cr0.6Al : an augmented space approach

TL;DR

This paper investigates the electronic and magnetic properties of a partially disordered pseudo-Heusler alloy Co2Fe0.4Cr0.6Al using an augmented space approach, providing insights into its magnetic moments and electronic structure.

Contribution

It applies the augmented space recursion method to study the electronic and magnetic properties of a specific disordered alloy, including thin film analysis.

Findings

Theoretical magnetic moments of Fe and Co agree with experiments.

Overestimation of Cr magnetic moments in predictions.

Layer and orbital resolved properties of thin films analyzed.

Abstract

In this communication we present a study of the electronic structure of partially disordered bulk and (100) thin film of quaternary pseudo-Heusler alloy Co$_2$Fe$_{0.4}$Cr$_{0.6}$Al in the L2$_1$ phase using the Augmented Space recursion (ASR) in a scalar-relativistic tight binding linear muffin-tin orbitals (TB-LMTO) basis. We study the orbital resolved magnetic moment contributions of the constituents of the alloy. Our theoretical predictions match well with the available experimental observations for the magnetic moments of Fe and Co but they overestimate that of Cr. For a (100) thin film, layer as well as orbital resolved properties have been studied.