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First-principles study of high-pressure physical properties of ZnSe

Using the first-principles method based on density functional theory we study the structural properties of zinc-blende structure, rocksalt structure and hexagonal wurtzite structure of ZnSe. At the same time, according to the isoenthalpy principle, we have found the transition pressure from zinc-ble...

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Bibliografische Detailangaben
Hauptverfasser: WANG Hai-Yan, HAN Wen-Jun, LI Dan, LI Xu-Sheng
Format: Artigo
Sprache:Inglês
Veröffentlicht: Editorial Department of Journal of Sichuan University (Natural Science Edition) 2018-01-01
Schriftenreihe:四川大学学报. 自然科学版
Schlagworte:
Online-Zugang:http://science.scu.edu.cn/thesisDetails?columnId=45827585&Fpath=home&index=0
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