Electronic structure and optical properties of CsI under high pressure: a first-principles study

RSC Advances - Tập 7 Số 83 - Trang 52449-52455
Qiang Zhao1,2,3,4, Zheng Zhang1,2,3,4, Xiaoping Ouyang1,2,5,4,6
1Beijing 102206
2Beijing Key Laboratory of Passive Safety Technology for Nuclear Energy, North China Electric Power University, Beijing 102206, P. R. China
3North China Electric Power University
4P. R. China
5Northwest Institute of Nuclear Technology
6School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, P. R. China

Tóm tắt

We investigated the effects of high pressure on the electronic structure and optical properties of a CsI crystal through a first-principles calculation method based on density functional theory.

Từ khóa


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