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

页码：477 / 478

页数：2

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