Abstract
The structure and pressure-induced phase transitions for CdSe are investigated using firstprinciples 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. © Indian Academy of Sciences.
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Kong, B., Zeng, T. X., Zhou, Z. W., Chen, D. L., & Sun, X. W. (2014). High pressure phase transitions for CdSe. Bulletin of Materials Science, 37(3), 549–552. https://doi.org/10.1007/s12034-014-0707-9
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