First-principles calculations on vibrational and dielectric properties of chalcopyrite CuGaS2

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dc.authorid0000-0002-9810-2659
dc.authorid0000-0001-8212-897X
dc.contributor.authorAkdoğan, Mustafa
dc.contributor.authorEryiğit, Resul
dc.date.accessioned2021-06-23T19:17:25Z
dc.date.available2021-06-23T19:17:25Z
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 chalcopyrite semiconductor CuGaS2.(.) 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 permittivity tensors, the phonon frequencies at the Brillouin zone centre and mode oscillator strengths are calculated using density functional perturbation theory. The calculated properties help resolve the source of some of the discrepancies in the experimental literature.en_US
dc.identifier.doi10.1088/0953-8984/14/32/309
dc.identifier.endpage7502en_US
dc.identifier.issn0953-8984
dc.identifier.issue32en_US
dc.identifier.scopus2-s2.0-0037136334en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage7493en_US
dc.identifier.urihttps://doi.org/10.1088/0953-8984/14/32/309
dc.identifier.urihttps://hdl.handle.net/20.500.12491/5402
dc.identifier.volume14en_US
dc.identifier.wosWOS:000177800100011en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorAkdoğan, Mustafa
dc.institutionauthorEryiğit, Resul
dc.language.isoenen_US
dc.publisherIop Publishing Ltden_US
dc.relation.ispartofJournal Of Physics-Condensed Matteren_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectChalcopyrite Semiconductor CuGaS2en_US
dc.titleFirst-principles calculations on vibrational and dielectric properties of chalcopyrite CuGaS2en_US
dc.typeArticleen_US

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