A study of the phase transitions, electronic structures and thermodynamic properties of Mg2X (X = Ge, Si and Sn) under high pressure

• Main Authors: Guezlanea, M., Baaziz, H., Charifi, Z., Belgacem-Bouzida, A., Djaballah, Y.
• 格式: Article
• 語言: English
• 出版: H. : ĐHQGHN 2017
• 主題: DFT; FP-LAPW; EV-GGA; Phase transitions; Thermodynamic
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/57900

In this work, we theoretically investigate phase transitions, electronic structures and thermodynamic properties of Mg2X(X¼Ge, Si and Sn) under high pressures. To reach this goal, the total energy has been calculated by using the full-potential linearized augmented plane wave (FP-LAPW) method with g...