CALCULATION OF THE ELECTRONIC-STRUCTURE AND THE MAGNETIC-MOMENTS OF ND2FE14B

被引：21
|
作者：
NORDSTROM, L
JOHANSSON, B
BROOKS, MSS
机构：
[1] UNIV UPPSALA,DEPT PHYS,CONDENSED MATTER THEORY GRP,S-75121 UPPSALA,SWEDEN
[2] COMMISSION EUROPEAN COMMUNITIES,INST TRANSURANIUM ELEMENTS,W-7500 KARLSRUHE,GERMANY
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 42期
关键词：
D O I：
10.1088/0953-8984/5/42/008
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Electronic structure calculations for the permanent magnet material Nd2Fe14B are presented. The localized 4f spin magnetization density is incorporated in the calculational scheme in an appropriate way. The calculated magnetic moments for the different Fe sites are in good agreement with neutron experiments. It is found that the unusually large local fe magnetic moments for some of the Fe sites are mainly due to the large distances between the Fe atoms in this structure.
引用
收藏
页码：7859 / 7870
页数：12
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