Ab initio vibrational and dielectric properties of chalcopyrite CuInS2

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dc.authorid0000-0002-4282-6340en_US
dc.authorid0000-0001-8212-897X
dc.authorid0000-0002-4004-8696
dc.contributor.authorEryiğit, Recep
dc.contributor.authorParlak, Cihan
dc.contributor.authorEryiğit, Resul
dc.date.accessioned2021-06-23T19:17:36Z
dc.date.available2021-06-23T19:17:36Z
dc.date.issued2003
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümüen_US
dc.description.abstractWe have performed a first-principles study of structural, dynamical, and dielectric properties of the chalcopyrite semiconductor CuInS2. 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 mode oscillator strengths are calculated using density functional perturbation theory. The calculated properties agree with infrared and Raman measurements.en_US
dc.identifier.doi10.1140/epjb/e2003-00163-x
dc.identifier.endpage254en_US
dc.identifier.issn1434-6028
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-5444228601en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage251en_US
dc.identifier.urihttps://doi.org/10.1140/epjb/e2003-00163-x
dc.identifier.urihttps://hdl.handle.net/20.500.12491/5477
dc.identifier.volume33en_US
dc.identifier.wosWOS:000183776500001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorEryiğit, Resul
dc.institutionauthorParlak, Cihan
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofEuropean Physical Journal Ben_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectChalcopyrite CuInS2en_US
dc.subjectAb Initio Vibrational
dc.titleAb initio vibrational and dielectric properties of chalcopyrite CuInS2en_US
dc.typeArticleen_US

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