A first-principle study of the structural and lattice dynamical properties of CaX (X=S, Se, and Te)

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404;
dc.contributor.authorBayrakçı, M.
dc.contributor.authorÇolakoğlu, K.
dc.contributor.authorDeligöz, Engin
dc.contributor.authorÇiftçi, Y. O.
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:28:36Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:28:36Z
dc.date.issued2009
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractWe have studied structural, elastic, thermodynamic (Debye temperature and melting temperature), and lattice dynamical (phonon dispersion curves, heat capacity, and entropy) properties of CaX via ab initio calculations within the local density approximations. The results are compared with the available experimental and other theoretical data, and the agreement is, generally, quite good. We also predict the temperature and/or pressure-dependent behaviors of some mechanical, lattice dynamical, and thermodynamic properties for the same compounds.
dc.description.sponsorshipGazi University [05/2008-16]
dc.description.sponsorshipThis work was supported by the Gazi University Research Project Unit under Project No: 05/2008-16.
dc.identifier.doi10.1080/08957950802526436
dc.identifier.endpage203en_US
dc.identifier.issn0895-7959
dc.identifier.issn1477-2299
dc.identifier.issue2en_US
dc.identifier.scopusqualityQ2
dc.identifier.startpage187en_US
dc.identifier.urihttps://doi.org/10.1080/08957950802526436
dc.identifier.urihttps://hdl.handle.net/20.500.12451/6061
dc.identifier.volume29en_US
dc.identifier.wosWOS:000266245900002
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor& Francis LTD
dc.relation.ispartofHigh Pressure Research
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAb Initio Calculations
dc.subjectLattice Dynamics
dc.subjectElastic Properties
dc.subjectThermodynamic Properties
dc.subjectMechanical Properties
dc.titleA first-principle study of the structural and lattice dynamical properties of CaX (X=S, Se, and Te)
dc.typeArticle

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