Full potential calculation of structural, electronic and optical properties of CdSiP2 and CdGeP2

被引：25

作者：

Chiker, F

Abbar, B

Tadjer, A ^{[1
]}

Aourag, H

Khelifa, B

机构：

[1] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Computat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria

[2] Univ Artois, Fac Sci, CCML, Bethune, France

来源：

MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY | 2003年 / 98卷 / 02期

关键词：

chalcopyrite structure; CdSiP2; CdGeP2;

D O I：

10.1016/S0921-5107(02)00158-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have studied structural, electronic and optical properties of some A(II)B(IV)C(2)(V) ternary semiconductors, precisely CdSiP2 and CdGeP2 with chalcopyrite structure which are investigated using the full potential linearized augmented plane wave (FPLAPW) method. For treating the correlation term, we have choosen the local density approximation (LDA). The total-energy approach is used to determine the c/a ratio and the equilibrium volume. On the one hand, we have analyzed electronic properties such as band structures, electronic charge densities and density of states. On the other hand, optical properties are also derived. (C) 2002 Published by Elsevier Science B.V.

引用

页码：81 / 88

页数：8

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