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High pressure phase transitions for CdSe |
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| Authors: | Bo Kong Ti-Xian Zeng Zhu-Wen Zhou De-Liang Chen Xiao-Wei Sun |
| Affiliation: | 1. School of Physics and Electronic Sciences, Guizhou Normal College, Guiyang, 550018, China 2. Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Normal College, Guiyang, 550018, China 3. College of Physics and Electronic Information, China West Normal University, Nanchong, 637002, China 4. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou, 730070, China |
| Abstract: | The structure and pressure-induced phase transitions for CdSe are investigated using first-principles calculations. The pressure-induced phase transition sequence WZ/ZB → Rs → Cmcm → CsCl for CdSe is drawn reasonably for the fist time, the corresponding transition pressures are 3.8, 29 and 107 GPa, respectively and the intermediate states between the Cmcm structure and the CsCl structure should exist. |
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