Structural, elastic and lattice dynamical properties of the alkali metal tellurides: First-principles study

• Main Authors: Souadia, Z., Bouhemadou, A., Khenata, R., Al-Douri, Yarub
• Format: Article
• Published: Elsevier 2017
• Subjects: Q Science (General); QC Physics
• Online Access: http://eprints.um.edu.my/17607/; http://dx.doi.org/10.1016/j.physb.2017.07.004

We report a detailed first-principles density functional calculations to understand the systematic trends for crystal structure, elastic and lattice dynamical properties of the anti-fluorite alkali metal tellurides M2Te depending from the type of the M cations (M are Li, Na, K and Rb). The calculate...