Optical properties of the alkali antimonide semiconductors Cs3Sb, Cs2KSb, CsK2Sb and K3Sb

被引：44
|
作者：
Kalarasse, L. [1 ]
Bennecer, B. [1 ]
Kalarasse, F. [1 ]
机构：
[1] Univ Guelma, Fac Sci & Engn, Phys Lab, Guelma 24000, Algeria
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2010年 / 71卷 / 03期
关键词：
Semiconductors; Ab initio calculations; Optical properties; DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; PHOTO-CATHODES; PHOTOCATHODES; SPECTRA; APPROXIMATION; PHOTOINJECTOR; PHOTOEMISSION; PRESSURE; NA2KSB;
D O I：
10.1016/j.jpcs.2009.12.083
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
First principles calculations, by means of the full-potential linearized augmented plane wave method within the generalized gradient approximation, were carried out for the electronic and optical properties of the alkali antimonide compounds Cs3Sb, Cs2KSb, CsK2Sb and K3Sb. The calculated lattice parameters and bulk moduli are in good agreement with the available data. The calculated band structures and density of states are in good agreement with previous calculations. The peaks and structures in the optical spectra are assigned to interband transitions. The calculated absorption coefficient for K3Sb and Cs3Sb is in fairly agreement with the observed one. (C) 2010 Elsevier Ltd. All rights reserved.
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收藏
页码：314 / 322
页数：9
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