Ab initio pressure-dependent vibrational and dielectric properties of chalcopyrite CuAlS2

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dc.authorid0000-0002-4004-8696
dc.authorid0000-0001-8212-897X
dc.contributor.authorParlak, Cihan
dc.contributor.authorEryiğit, Resul
dc.date.accessioned2021-06-23T19:17:55Z
dc.date.available2021-06-23T19:17:55Z
dc.date.issued2004
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümüen_US
dc.description.abstractWe have performed an ab initio study of pressure-dependent lattice dynamical properties of chalcopyrite semiconductor CuAlS2. The calculations have been carried out within the local density functional approximation using norm-conserving pseudopotentials and a plane-wave basis. Born effective charge tensors, dielectric permitivity tensors, the phonon frequencies at the Brillouin zone center, and their Gruneisen parameters are calculated using density functional perturbation theory. We compare the Gruneisen parameters of the calculated quantities with those of zinc-blende type materials and found similar trends.en_US
dc.identifier.doi10.1103/PhysRevB.70.075210
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-19544372943en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.70.075210
dc.identifier.urihttps://hdl.handle.net/20.500.12491/5583
dc.identifier.volume70en_US
dc.identifier.wosWOS:000223716600052en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorParlak, Cihan
dc.institutionauthorEryiğit, Resul
dc.language.isoenen_US
dc.publisherAmer Physical Socen_US
dc.relation.ispartofPhysical Review Ben_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectChalcopyriteen_US
dc.subjectProperties
dc.subjectDielectric
dc.subjectVibrational
dc.titleAb initio pressure-dependent vibrational and dielectric properties of chalcopyrite CuAlS2en_US
dc.typeArticleen_US

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