Theoretical investigations on elastic and thermodynamic properties of CdTe

Yuhong Huang, Wanqi Jie, Gangqiang Zha

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

The elastic and thermodynamic properties of CdTe are studied under a pressure up to 8GPa and at a temperature range of 0~900K, by density functional theory as well as quasiharmonic Debye model. The calculated bulk modulus B and its derivative B′ are consistent with the values fitted according to Debye model, which confirms the applicability of Debye model to CdTe. Heat capacity C v, Grüneisen parameter γ and thermal expansion coefficient decrease with pressure, but increase with temperature. It is an opposite case for Debye temperatureΘ. The results may be instructive for CdTe to be applied in extreme conditions.

源语言英语
主期刊名Advanced Research on Material Science and Environmental Science
192-196
页数5
DOI
出版状态已出版 - 2012
活动2nd International Conference on Material Science, Environmental Science and Computer Science, MSESCS 2012 - Wuhan, 中国
期限: 25 8月 201226 8月 2012

出版系列

姓名Advanced Materials Research
534
ISSN(印刷版)1022-6680

会议

会议2nd International Conference on Material Science, Environmental Science and Computer Science, MSESCS 2012
国家/地区中国
Wuhan
时期25/08/1226/08/12

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