Prediction study of structural, electronic and optical properties of XIn2S4 (X = Hg, Zn) thiospinels under pressure effect

First principle calculations are carried out to study the effect of pressure (up to 30 GPa) on physical properties of HgIn2S4 and ZnIn2S4 thiospinels. A number of structural, electronic and optical parameters are calculated, and equations are developed for their prediction at different pressures. Hi...

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主要な著者:	Masood, Yousaf, Inam, Fawad, Khenata, Rabah, Murtaza, Ghulam M., Mat Isa, Ahmad Radzi, Saeed, Mohammad Alam
フォーマット:	論文
出版事項:	2014
主題:	Q Science
オンライン･アクセス:	http://eprints.utm.my/id/eprint/54568/ http://dx.doi.org/10.1016/j.jallcom.2013.11.186
タグ:	タグ追加タグなし, このレコードへの初めてのタグを付けませんか!

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