Ab initio calculation of X-ray magnetic circular dichroism spectra

被引：0
|
作者：
Takahashi, M
Igarashi, J
机构：
[1] Gunma Univ, Fac Engn, Gunma 3768515, Japan
[2] Japan Atom Energy Res Inst, Synchrotron Radiat Res Ctr, Sayo, Hyogo 6795148, Japan
来源：
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2004年 / 272卷
关键词：
X-ray magnetic circular dichroism; X-ray absorption spectroscopy; K-edge absorption;
D O I：
10.1016/j.jmmm.2003.12.422
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
X-ray magnetic circular dichroism spectra at the K edge of Mn in the ferromagnetic phases of Mn3GaC and Mn3ZnC are calculated by taking account of the spin-orbit interaction (SOI) in the LDA scheme. The calculated spectra show excellent agreement with the recent experiment, demonstrating that they arise from the p orbital polarization. We make clear the mechanism of its induction by selectively turning off the SOI on specified states. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码：477 / 478
页数：2
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