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

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dc.authorid0000-0002-4733-7861
dc.contributor.authorGüler, Emre
dc.contributor.authorGüler, Melek
dc.date.accessioned2019-05-10T09:39:26Z
dc.date.available2019-05-10T09:39:26Z
dc.date.issued2015
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü
dc.description.abstractStructural, 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. © 2015, Sociedade Brasileira de Física.
dc.identifier.citationGüler, E., & Güler, M. (2015). A theoretical investigation of the effect of pressure on the structural, elastic and mechanical properties of ZnS crystals. Brazilian Journal of Physics, 45(3), 296-301.
dc.identifier.doi10.1007/s13538-015-0320-4
dc.identifier.endpage301en_US
dc.identifier.issn0103-9733
dc.identifier.issue3en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage296en_US
dc.identifier.urihttps://doi.org/10.1007/s13538-015-0320-4
dc.identifier.urihttps://hdl.handle.net/11491/695
dc.identifier.volume45en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer New York LLC
dc.relation.ispartofBrazilian Journal of Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectElastic Constantsen_US
dc.subjectGULPen_US
dc.subjectMechanical Propertiesen_US
dc.subjectShell Modelen_US
dc.subjectZnSen_US
dc.titleA Theoretical Investigation of the Effect of Pressure on the Structural, Elastic and Mechanical Properties of ZnS Crystals
dc.typeArticle

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