Electronic structure and ferromagnetic behavior in the $Mn_{1-x}A_xAs_{1-y}B_y$ alloys

TL;DR

This study uses ab initio calculations to explore how doping affects the electronic structure and magnetic properties of MnAs alloys, revealing that most dopants reduce ferromagnetism, but some can enhance magnetic moments.

Contribution

It provides a systematic analysis of doping effects on MnAs alloys' electronic and magnetic properties, highlighting specific substitutions that increase magnetic moments.

Findings

Most dopants reduce ferromagnetic moments.

Substituting As with S or Se increases magnetic moments.

Doping influences electronic structure and magnetic behavior.

Abstract

In this work, a systematic ab initio study of the influence of doping on electronic structure and local magnetic moments of ferromagnetic MnAs has been carried out. The majority of the considered substitution elements, potentially suitable for modification of MnAs as working material of magnetic refrigerators is shown to result in reduction of the ferromagnetic moment. But there are variants of anionic substitution (for example, substitution of As for S and Se) when the magnetic moment grows.