Current density functional theory of spontaneously magnetised solids

被引:40
作者
Ebert, H [1 ]
Battocletti, M [1 ]
Gross, EKU [1 ]
机构
[1] UNIV WURZBURG,INST THEORET PHYS,D-97074 WURZBURG,GERMANY
来源
EUROPHYSICS LETTERS | 1997年 / 40卷 / 05期
关键词
D O I
10.1209/epl/i1997-00502-1
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The first application of current density functional theory (CDFT) to spontaneously magnetised solids is presented. We show that non-relativistic CDFT without spin-orbit coupling does not lead to finite orbital currents. In accordance with experiment, an enhancement of the spin-orbit-induced orbital magnetic moment is found for the ferromagnets Fe and Co, while for Ni only a minor change was found compared to a plain calculation done within spin density functional theory (SDFT).
引用
收藏
页码:545 / 550
页数:6
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