Ab initio calculated X-ray magnetic circular dichroism of Sr2CrReO6

被引：9
|
作者：
Vaitheeswaran, G. [1 ]
Kanchana, V. [1 ]
Alouani, M. [2 ]
Delin, A. [1 ]
机构：
[1] Royal Inst Technol KTH, Dept Mat Sci & Engn, S-10044 Stockholm, Sweden
[2] Inst Phys & Chim Mat Strasbourg, UMR CNRS ULP 7504, F-67034 Strasbourg, France
来源：
EPL | 2008年 / 84卷 / 04期
关键词：
D O I：
10.1209/0295-5075/84/47005
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Ab initio calculated X-ray absorption and X-ray magnetic circular dichroism (XMCD) spectra at the Cr and Re L-2,L-3 edges for the double perovskite Sr2CrReO6 are compared with experiment. The main features of the experimental spectra are reproduced by the calculations, however, the amplitudes of several structures are significantly over- or underestimated. The calculated spin and orbital magnetic moments for Cr and Re agree with those obtained by means of XMCD sum rules, except for the Cr orbital moment, illustrating that numerical uncertainties can be large for small moments. It is also argued that the Re moments are induced and not intrinsic. Copyright (c) EPLA, 2008
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页数：4
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