Theoretical analysis of elastic, mechanical and phonon properties of wurtzite zinc sulfide under pressure

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dc.authorid0000-0002-4733-7861
dc.contributor.authorGüler, Melek
dc.contributor.authorGüler, Emre
dc.date.accessioned2019-05-13T09:07:31Z
dc.date.available2019-05-13T09:07:31Z
dc.date.issued2017
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü
dc.description.abstractWe report for the first time the application of a mixed-type interatomic potential to determine the high-pressure elastic, mechanical, and phonon properties of wurtzite zinc sulfide (WZ-ZnS) with geometry optimization calculations under pressures up to 12 GPa. Pressure dependency of typical elastic constants, bulk, shear, and Young moduli, both longitudinal and shear wave elastic wave velocities, stability, as well as phonon dispersions and corresponding phonon density of states of WZ-ZnS were surveyed. Our results for the ground state elastic and mechanical quantities of WZ-ZnS are about experiments and better than those of some published theoretical data. Obtained phonon-related results are also satisfactory when compared with experiments and other theoretical findings. © 2017 by the authors. Licensee MDPI, Basel, Switzerland.
dc.identifier.citationGüler, M., & Güler, E. (2017). Theoretical analysis of elastic, mechanical and phonon properties of wurtzite zinc sulfide under pressure. Crystals, 7(6), 161.
dc.identifier.doi10.3390/cryst7060161
dc.identifier.issn2073-4352
dc.identifier.issue6en_US
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.3390/cryst7060161
dc.identifier.urihttps://hdl.handle.net/11491/1817
dc.identifier.volume7en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherMDPI AG
dc.relation.ispartofCrystals
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.subjectElasticen_US
dc.subjectMechanicalen_US
dc.subjectPhononen_US
dc.subjectWurtziteen_US
dc.subjectZnSen_US
dc.titleTheoretical analysis of elastic, mechanical and phonon properties of wurtzite zinc sulfide under pressure
dc.typeArticle

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