First principles calculation of crystal field parameter near surfaces of Nd2 Fe14 B

Hiroshi Moriya; Hiroki Tsuchiura; Akimasa Sakuma

doi:10.1063/1.3073931

First principles calculation of crystal field parameter near surfaces of Nd2 Fe14 B

Hiroshi Moriya, Hiroki Tsuchiura, Akimasa Sakuma

ENG - Applied Physics

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42 Citations (Scopus)

Abstract

We study the electronic structures of a (001) surface of crystalline Nd2 Fe14 B by using a slab model, and estimate the crystal field parameters A20 〈 r2 〉 at Nd sites based on first principles calculations. We find that the A20 〈 r2 〉 for some Nd ions are negative. The present results imply that Nd ions located around the (001) surfaces of crystalline Nd2 Fe14 B would be nucleation sites of reversed magnetic domains.

Original language	English
Article number	07A740
Journal	Journal of Applied Physics
Volume	105
Issue number	7
DOIs	https://doi.org/10.1063/1.3073931
Publication status	Published - 2009 Apr 27

ASJC Scopus subject areas

Physics and Astronomy(all)

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Moriya, H., Tsuchiura, H., & Sakuma, A. (2009). First principles calculation of crystal field parameter near surfaces of Nd2 Fe14 B. Journal of Applied Physics, 105(7), [07A740]. https://doi.org/10.1063/1.3073931

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abstract = "We study the electronic structures of a (001) surface of crystalline Nd2 Fe14 B by using a slab model, and estimate the crystal field parameters A20 〈 r2 〉 at Nd sites based on first principles calculations. We find that the A20 〈 r2 〉 for some Nd ions are negative. The present results imply that Nd ions located around the (001) surfaces of crystalline Nd2 Fe14 B would be nucleation sites of reversed magnetic domains.",

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