Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe

被引：243
|
作者：
Deligoz, E [1 ]
Colakoglu, K [1 ]
Ciftci, Y [1 ]
机构：
[1] Gazi Univ, Dept Phys, TR-06500 Ankara, Turkey
来源：
PHYSICA B-CONDENSED MATTER | 2006年 / 373卷 / 01期
关键词：
elastic constants; lattice dynamics; band structure; CdS; CdSe; CdTe; ab initio calculation;
D O I：
10.1016/j.physb.2005.11.099
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Ab initio calculations, based on norm-conserving pseudopotentials and density functional theory, have been performed to investigate elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe). The calculated lattice parameters, elastic constants, band structures, and phonon dispersions are in good agreement with available experimental and theoretical results. We also presented the pressure-dependence of elastic constants and the pressure-dependence of band gaps. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：124 / 130
页数：7
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