Full-potential investigation of the electronic and optical properties of stressed CdTe and ZnTe

被引：64
作者：
Merad, AE
Kanoun, MB
Merad, G
Cibert, J
Aourag, H
机构：
[1] Univ A Belkaid, Fac Sci, Dept Phys, URMER,Lab Etude & Predict Mat, Tilimsen 13000, Algeria
[2] Univ Grenoble 1, CNRS, UMR 5588, Spectrometrie Phys Lab, Grenoble, France
[3] CNRS, Lab Louis Neel, F-38042 Grenoble, France
[4] Univ Technol Belfort, LERMPS, F-90010 Belfort, France
来源：
MATERIALS CHEMISTRY AND PHYSICS | 2005年 / 92卷 / 2-3期
关键词：
full-potential augmented plane wave plus local orbitals method; electronic structure; refractive index; pressure effect; CdTe; ZnTe;
D O I：
10.1016/j.matchemphys.2004.10.031
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A new first principles method was performed in order to study systematically and more accurately the electronic and optical properties of stressed CdTe and ZnTe. Our calculations are based on the full-potential augmented plane wave plus local orbitals approach including d-metal states in the valence bands. The pressure coefficients of the band gaps and deformation potentials were determined. The sublinear behavior with pressure for both the ionic character and the refractive index was checked. Our results are in good agreement with other theoretical and experimental data. © 2004 Published by Elsevier B.V.
引用
收藏
页码：333 / 339
页数：7
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