First principles study of structure and thermodynamic properties of MgH2
LIU Fu-ti1,2, CHENG Xiao-hong2, ZHANG Shu-hua3
1. Computational Physics Key Laboratory of Sichuan Province of Yibin University, Yibin 644000, Sichuan, China;
2. School of Physics and Electronic Engineering of Yibin University, Yibin 644000, Sichuan, China;
3. Centre for Experimental and Teaching Resource Management of Yibin University, Yibin 644000, Sichuan, China
