Structural, elastic and lattice dynamical properties of the alkali metal tellurides: First-principles study
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...
Main Authors: | Souadia, Z., Bouhemadou, A., Khenata, R., Al-Douri, Yarub |
---|---|
Format: | Article |
Published: |
Elsevier
2017
|
Subjects: |
Similar Items
-
Electronic structure and optical properties of the dialkali metal monotelluride compounds: Ab initio study
by: Souadia, Z., et al.
Published: (2019) -
Electronic and thermoelectric properties of the layered BaFAg Ch ( Ch = S, Se and Te): First-principles study
by: Boudiaf, Khaouther, et al.
Published: (2018) -
First-principles computations of YxGa1−x
As-ternary alloys: a study on structural, electronic, optical and elastic properties
by: Touam, S., et al.
Published: (2020) -
Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)
by: Benahmed, A., et al.
Published: (2018) -
First-principle calculations of structural, electronic and magnetic investigations of Mn2RuGe1-xSnx quaternary Heusler alloys
by: Semari, F., et al.
Published: (2018)