Ab initio investigation of the pressure influence on elastic properties of the GaS layered compound

Ab initio investigation of the pressure influence on elastic properties of the GaS layered compound

From first principles, in the pressure range of 0–20 GPa, taking into account the structural phase transition at 3 GPa, all independent elastic constants of GaS compound have been calculated. From obtained data, the pressure dependences of the velocities of propagation of elastic waves in different...

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Veröffentlicht in:Physics of the solid state 2014-03, Vol.56 (3), p.619-625
Hauptverfasser: Orudzhev, G. S., Kasumova, E. K.
Format: Artikel
Sprache:eng
Schlagworte:
Analysis
Investigations
Phase Transitions
Physics
Physics and Astronomy
Solid State Physics
Sulfides
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Zusammenfassung:From first principles, in the pressure range of 0–20 GPa, taking into account the structural phase transition at 3 GPa, all independent elastic constants of GaS compound have been calculated. From obtained data, the pressure dependences of the velocities of propagation of elastic waves in different symmetry directions have been determined. The values of averaged elastic moduli, Young’s modulus and Poisson’s ratio and their pressure dependence have also been calculated..
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783414030238