A first-principle study of N-neighbor influence on electronic structure and magnetic properties of Fe

被引：10

作者：

Kong, Y ^{[1
]}

Pelzl, J

Li, FS

机构：

[1] Lanzhou Univ, Dept Phys, Lanzhou 730000, Peoples R China

[2] Ruhr Univ Bochum, Inst Expt Phys 3, D-44780 Bochum, Germany

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1999年 / 195卷 / 02期

关键词：

LMTO; interstitial atom;

D O I：

10.1016/S0304-8853(99)00137-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The influence of neighboring N atoms on electronic structure and magnetic properties of Fe atoms in Fe4N with Ni4N-I and Ni4N-II structures is investigated by first-principle LMTO method. The magnetic moment (2.50 mu(B)) of Fe neighbored by one N is reduced prominently when compared to that (2.99 mu(B)) of the Fe having no N nearest neighbor and a much rapid reduction against the decrease of cell volume is indicated. Strengthened Fe-N interaction in Fe4N with Ni4N-II structure makes the Curie temperature smaller. (C) 1999 Published by Elsevier Science B.V. All rights reserved.

引用

页码：483 / 487

页数：5

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