Structural and dynamical properties of ZnO in zinc-blende and rocksalt phases

被引：27

作者：

Aoumeur, FZ ^{[1
]}

Benkabou, K ^{[1
]}

Belgoumène, B ^{[1
]}

机构：

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

来源：

PHYSICA B-CONDENSED MATTER | 2003年 / 337卷 / 1-4期

关键词：

Tersoff's potential; molecular dynamic; semiconductors;

D O I：

10.1016/S0921-4526(03)00418-6

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural and thermodynamical properties of ZnO in zinc-blende and rocksalt phases are calculated. We have used the molecular dynamics simulation based on Tersoff's potential in order to calculate the equilibrium lattice parameters, bulk modulus, pressure derivatives, the elastic constants, and the thermal properties. We have compared the results with others works. We have also calculated the transition pressure. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：292 / 297

页数：6

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