The structural, elastic and thermodynamic properties of intermetallic compound CeGa2

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dc.authoridColakoglu, Kemal -- 0000-0003-4108-2404;
dc.contributor.authorÇiftçi Öztekin, Yasemin
dc.contributor.authorÇolako?lu, Kemal
dc.contributor.authorÇoban, Cansu
dc.contributor.authorDeligöz, Engin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:20:05Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:20:05Z
dc.date.issued2012
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractThe structural, elastic and thermodynamic characteristics of CeGa2 compound in the AlB2 (space group: P6/mmm) and the omega trigonal (space group: P-3m1) type structures are investigated using the methods of density functional theory within the generalized gradient approximation (GGA). The thermodynamic properties of the considered structures are obtained through the quasi-harmonic Debye model. The results on the basic physical parameters, such as the lattice constant, the bulk modulus, the pressure derivative of bulk modulus, the phase-transition pressure (P (t) ) from P6/mmm to P-3m1 structure, the second-order elastic constants, Zener anisotropy factor, Poisson's ratio, Young's modulus, and the isotropic shear modulus are presented. In order to gain further information, the pressure and temperature-dependent behavior of the volume, the bulk modulus, the thermal expansion coefficient, the heat capacity, the entropy, Debye temperature and Gruneisen parameter are also evaluated over a pressure range of 0-6 GPa and a wide temperature range of 0-1800 K. The obtained results are in agreement with the available experimental and the other theoretical values.
dc.identifier.doi10.2478/s11534-011-0012-9
dc.identifier.endpage205en_US
dc.identifier.issn1895-1082
dc.identifier.issn1644-3608
dc.identifier.issue1en_US
dc.identifier.scopusqualityN/A
dc.identifier.startpage197en_US
dc.identifier.urihttps://doi.org/10.2478/s11534-011-0012-9
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5058
dc.identifier.volume10en_US
dc.identifier.wosWOS:000297743800024
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSciendo
dc.relation.ispartofCentral European Journal of Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectPhase Transition Pressure
dc.subjectElastic Properties
dc.subjectThermodynamic Properties
dc.titleThe structural, elastic and thermodynamic properties of intermetallic compound CeGa2
dc.typeArticle

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