A Theoretical Investigation of the Effect of Pressure on the Structural, Elastic and Mechanical Properties of ZnS Crystals



Document title: A Theoretical Investigation of the Effect of Pressure on the Structural, Elastic and Mechanical Properties of ZnS Crystals
Journal: Brazilian journal of physics
Database: PERIÓDICA
System number: 000382321
ISSN: 0103-9733
Authors: 1
1
Institutions: 1Hitit University, Department of Physics, Corum. Turquía
Year:
Season: Jun
Volumen: 45
Number: 3
Pages: 296-301
Country: Brasil
Language: Inglés
Document type: Artículo
Approach: Experimental
English abstract Structural, elastic, and mechanical properties of blende-type zinc sulfide (bt-ZnS) were investigated under pressures up to 20 GPa. Unlike previous theoretical calculations, an existing mixed-type interatomic potential was applied with geometry optimization calculations. B3→B1 phase transition pressure was obtained as 17 GPa under zero pressure and temperature. Pressure dependence of typical cubic elastic constants, bulk, shear and Young moduli, elastic wave velocities, Kleinman parameter, static and high-frequency dielectric constants of bt-ZnS were also obtained. Overall, our results for the considered parameters of bt-ZnS are in good agreement with experiments and better than those of several available theoretical data
Disciplines: Física y astronomía
Keyword: Física de materia condensada,
Cristales,
Sulfuro de zinc,
Propiedades mecánicas,
Constantes elásticas
Keyword: Physics and astronomy,
Condensed matter physics,
Crystals,
Zinc sulfide,
Mechanical properties,
Elastic constants
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