First principles calculation of crystal field parameter near surfaces of Nd2Fe14B

被引：47

作者：

Moriya, Hiroshi ^{[1
,2
]}

Tsuchiura, Hiroki ^{[2
]}

Sakuma, Akimasa ^{[2
]}

机构：

[1] Hitachi Ltd, Mech Engn Res Lab, Hitachinaka, Ibaraki 3120034, Japan

[2] Tohoku Univ, Dept Appl Phys, Aoba Ku, Sendai, Miyagi 9808579, Japan

来源：

JOURNAL OF APPLIED PHYSICS | 2009年 / 105卷 / 07期

关键词：

MAGNETIC-PROPERTIES; EARTH;

D O I：

10.1063/1.3073931

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We study the electronic structures of a (001) surface of crystalline Nd2Fe14B by using a slab model, and estimate the crystal field parameters A(2)(0)< r(2)> at Nd sites based on first principles calculations. We find that the A(2)(0)< r(2)> for some Nd ions are negative. The present results imply that Nd ions located around the (001) surfaces of crystalline Nd2Fe14B would be nucleation sites of reversed magnetic domains. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3073931]

引用

页数：3

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