Ab initio vibrational and dielectric properties of the chalcopyrite CuInSe2

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dc.authorid0000-0002-4004-8696
dc.authorid0000-0001-8212-897X
dc.contributor.authorParlak, Cihan
dc.contributor.authorEryiğit, Resul
dc.date.accessioned2021-06-23T19:17:24Z
dc.date.available2021-06-23T19:17:24Z
dc.date.issued2002
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 CuInSe2. 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 some of the infrared, Raman, and neutron measurements.en_US
dc.identifier.doi10.1103/PhysRevB.66.165201
dc.identifier.issn2469-9950
dc.identifier.issue16en_US
dc.identifier.scopus2-s2.0-85038327142en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.66.165201
dc.identifier.urihttps://hdl.handle.net/20.500.12491/5392
dc.identifier.volume66en_US
dc.identifier.wosWOS:000179286400056en_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.subjectCuInSe
dc.subjectVibrational and Dielectric
dc.titleAb initio vibrational and dielectric properties of the chalcopyrite CuInSe2en_US
dc.typeArticleen_US

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