Ab initio volume-dependent elastic and lattice dynamical properties of chalcopyrite CuAlSe2
dc.authorid | 0000-0002-2623-5081 | en_US |
dc.authorid | 0000-0001-8212-897X | |
dc.contributor.author | Gürel, Tanju | |
dc.contributor.author | Eryiğit, Resul | |
dc.date.accessioned | 2021-06-23T19:19:24Z | |
dc.date.available | 2021-06-23T19:19:24Z | |
dc.date.issued | 2006 | |
dc.department | BAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümü | en_US |
dc.description.abstract | We 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.doi | 10.1088/0953-8984/18/4/025 | |
dc.identifier.endpage | 1425 | en_US |
dc.identifier.issn | 0953-8984 | |
dc.identifier.issn | 1361-648X | |
dc.identifier.issue | 4 | en_US |
dc.identifier.scopus | 2-s2.0-31044446703 | en_US |
dc.identifier.scopusquality | Q2 | en_US |
dc.identifier.startpage | 1413 | en_US |
dc.identifier.uri | https://doi.org/10.1088/0953-8984/18/4/025 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12491/5934 | |
dc.identifier.volume | 18 | en_US |
dc.identifier.wos | WOS:000235226000027 | en_US |
dc.identifier.wosquality | Q2 | en_US |
dc.indekslendigikaynak | Web of Science | en_US |
dc.indekslendigikaynak | Scopus | en_US |
dc.institutionauthor | Gürel, Tanju | |
dc.institutionauthor | Eryiğit, Resul | |
dc.language.iso | en | en_US |
dc.publisher | Iop Publishing Ltd | en_US |
dc.relation.ispartof | Journal Of Physics-Condensed Matter | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Chalcopyrite | en_US |
dc.subject | Lattice Dynamical Properties | |
dc.subject | Crystal Lattices | |
dc.subject | Permittivity | |
dc.title | Ab initio volume-dependent elastic and lattice dynamical properties of chalcopyrite CuAlSe2 | en_US |
dc.type | Article | en_US |
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