Ab initio volume-dependent elastic and lattice dynamical properties of chalcopyrite CuAlSe2

dc.authorid0000-0002-2623-5081en_US
dc.authorid0000-0001-8212-897X
dc.contributor.authorGürel, Tanju
dc.contributor.authorEryiğit, Resul
dc.date.accessioned2021-06-23T19:19:24Z
dc.date.available2021-06-23T19:19:24Z
dc.date.issued2006
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümüen_US
dc.description.abstractWe have performed an ab initio study of the volume dependence of elastic and lattice dynamical properties of chalcopyrite semiconductor CuAlSe2. 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 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 find similar trends. Calculated elastic stiffness constants show pseudocubic behaviour.en_US
dc.identifier.doi10.1088/0953-8984/18/4/025
dc.identifier.endpage1425en_US
dc.identifier.issn0953-8984
dc.identifier.issn1361-648X
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-31044446703en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1413en_US
dc.identifier.urihttps://doi.org/10.1088/0953-8984/18/4/025
dc.identifier.urihttps://hdl.handle.net/20.500.12491/5934
dc.identifier.volume18en_US
dc.identifier.wosWOS:000235226000027en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorGürel, Tanju
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.subjectChalcopyriteen_US
dc.subjectLattice Dynamical Properties
dc.subjectCrystal Lattices
dc.subjectPermittivity
dc.titleAb initio volume-dependent elastic and lattice dynamical properties of chalcopyrite CuAlSe2en_US
dc.typeArticleen_US

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
tanju-gurel.pdf
Boyut:
821.3 KB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam metin/ Full text