原子与分子物理学报2007，Vol.24Issue(2)：439-442,4.
ZnSe弹性常数和相变的从头计算
Ab initio calculations of elastic constants and phase transition of ZnSe
杨维清 1罗从正 2朱俊 1肖星宏 1刘丰奎1
作者信息
- 1. 四川大学物理科学与技术学院,成都,610064
- 2. 四川大学出版社,成都,610065
- 折叠
摘要
Abstract
The phase transition of ZnSe from the zincblende (ZB) structure to the rocksalt (RS) structure is investigated by ab initio plane-wave pseudopotential density functional theory method. It is found that the transition pressure is 16.8 GPa from equal enthalpies,well agreement with the data from high pressure elastic constants.关键词
相变/弹性常数/ZnSeKey words
transition phase/elastic constants/ZnSe分类
社会科学引用本文复制引用
杨维清,罗从正,朱俊,肖星宏,刘丰奎..ZnSe弹性常数和相变的从头计算[J].原子与分子物理学报,2007,24(2):439-442,4.
