First principles calculation of magnetocrystalline anisotropy energy of mnbi and MnBi1-xSnx

Akimasa Sakuma; Yuki Manabe; Yohei Kota

doi:10.7566/JPSJ.82.073704

First principles calculation of magnetocrystalline anisotropy energy of mnbi and MnBi_1-xSn_x

Akimasa Sakuma, Yuki Manabe, Yohei Kota

ENG - Applied Physics

Research output: Contribution to journal › Article › peer-review

24 Citations (Scopus)

Abstract

We calculated the magnetic anisotropy constant K_u of MnBi using a first principles approach, and obtained a negative K_u 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 K_u value of MnBi _1-xSn_x drastically changes to a positive value, Ku ̃ 2 MJ/m³, for x > 0.05.

Original language	English
Article number	073704
Journal	journal of the physical society of japan
Volume	82
Issue number	7
DOIs	https://doi.org/10.7566/JPSJ.82.073704
Publication status	Published - 2013 Jul 1

Keywords

CPA
First principles calculation
LMTO
Magnetocrystalline anisotropy energy
MnBi
Permanent magnets

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.7566/JPSJ.82.073704

Cite this

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title = "First principles calculation of magnetocrystalline anisotropy energy of mnbi and MnBi1-xSnx",

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 MnBi 1-xSnx drastically changes to a positive value, Ku{\~ } 2 MJ/m3, for x > 0.05.",

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N2 - 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 MnBi 1-xSnx drastically changes to a positive value, Ku ̃ 2 MJ/m3, for x > 0.05.

AB - 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 MnBi 1-xSnx drastically changes to a positive value, Ku ̃ 2 MJ/m3, for x > 0.05.

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KW - Magnetocrystalline anisotropy energy

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KW - Permanent magnets

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