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
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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