Stability and structural properties of ZnS and ZnSe under high pressure

被引：0
|
作者：
Qteish, A
Muñoz, A [1 ]
机构：
[1] Univ La Laguna, Dept Fis Fundamental 2, Tenerife 38204, Spain
[2] Hashemite Univ, Dept Phys, Zarka 13115, Jordan
来源：
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 2001年 / 223卷 / 02期
关键词：
D O I：
10.1002/1521-3951(200101)223:2<417::AID-PSSB417>3.0.CO;2-U
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The structural phase transformations of ZnS and ZnSe under high pressure are studied by using a first-principles pseudopotential method and the local density approximation for the exchange-correlation potential. ZnS and ZnSe: are found to have very similar structural systematics under high pressure. In both compounds, the SC16 phase (simple cubic with 16-atom basis) is predicted to be thermodynamically stable before the lock-salt structure. The cinnabar structure of both systems is found to be unstable. The structural properties of the zinc-blende, rock-salt, cinnabar and SC16 phases are presented.
引用
收藏
页码：417 / 422
页数：6
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