First Principles Calculation of Magnetocrystalline Anisotropy Energy of MnBi and MnB_1-xSn_x

2013/04/19 by Akimasa Sakuma, Sakuma, Akimasa, Yuki Manabe +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1304.5307

arxiv created 2013/04/19 · arxiv updated 2013/04/22

Abstract

We calculated the magnetic anisotropy constant Ku of MnBi using a first principles approach, and obtained a negative Ku in agreeable with experimental results. Furthermore, we also found a band filling dependence indicating that a slight decrease in the valence electron number will change Ku from negative to positive. When some of the Bi is replaced with Sn to decrease the valence electron number, the Ku value of MnBi1-xSnx drastically changes to a positive value, Ku~2 MJ/m3, for x > 0.05.

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