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

In this work, we theoretically investigate phase transitions, electronic structures and thermodynamic properties of Mg2X (X = Ge, 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 wit...

Full description

Bibliographic Details
Main Authors: M. Guezlane, H. Baaziz, Z. Charifi, A. Belgacem-Bouzida, Y. Djaballah
Format: Article
Language:English
Published: Elsevier 2017-03-01
Series:Journal of Science: Advanced Materials and Devices
Subjects:
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S246821791630199X