Electronic structure, optical spectra, and x-ray magnetic circular dichroism in CoS2

被引：16

作者：

Antonov, V. N. ^{[1
,2
]}

Andryushchenko, O. V. ^{[1
]}

Shpak, A. P. ^{[1
]}

Yaresko, A. N. ^{[2
]}

Jepsen, O. ^{[2
]}

机构：

[1] Inst Met Phys, UA-03142 Kiev, Ukraine

[2] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.78.094409

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure, optical spectra, and x-ray magnetic circular dichroism (XMCD) of CoS2 were investigated theoretically from first principles, using the fully relativistic Dirac linear muffin-tin orbital band-structure method. Densities of valence states, and orbital and spin magnetic moments are analyzed and discussed. The origin of the optical and XMCD spectra in the CoS2 compound is examined. The band-by-band decomposition of the optical conductivity spectrum is presented and the interband transitions responsible for the prominent structures in the spectra are identified. The calculated results are compared with available experimental data.

引用

页数：10

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