Electronic structure and ferromagnetic behavior in the Mn1−xAxAs1−yByMn_{1-x}A_xAs_{1-y}B_y alloys

preprint2008arXivOpen access

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.

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