First-principles study of the electronic structure and elastic properties of SrGa2 under pressure

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dc.authorid0000-0002-4004-8696en_US
dc.contributor.authorParlak, Cihan
dc.date.accessioned2023-05-12T10:37:22Z
dc.date.available2023-05-12T10:37:22Z
dc.date.issued2021en_US
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümüen_US
dc.description.abstractDetermination of detailed electronic and lattice dynamical properties of hexagonal SrGa2 binary system under external pressure with the aid of first-principles calculation methods is of great importance in terms of the basic characteristics of binary system. On this basis, the phonon dispersion curves are calculated by the high-symmetry directions and related phonon frequencies parameters at the Brillouin zone center using density functional perturbation theory when the elastic constants are computed through the metric-tensor formulation. Besides, the fundamental quantities such as the electronic band structures, Fermi surface topologies, and detailed phonon dispersions are sensitively examined. At the same time, it is examined whether there is a close relationship between the determined properties and superconducting properties of SrGa2 material. However, the calculations clearly show that the information obtained directly from the electronic band structure and Fermi surfaces is insufficient to explain the superconductivity phenomenon of such materials.en_US
dc.identifier.citationParlak, C. (2021). First-principles study of the electronic structure and elastic properties of SrGa2 under pressure. Materials Today Communications, 28, 102510.en_US
dc.identifier.doi10.1016/j.mtcomm.2021.102510
dc.identifier.endpage7en_US
dc.identifier.issn2352-4928
dc.identifier.scopus2-s2.0-85107950373en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1en_US
dc.identifier.urihttp://dx.doi.org/10.1016/j.mtcomm.2021.102510
dc.identifier.urihttps://hdl.handle.net/20.500.12491/10877
dc.identifier.volume28en_US
dc.identifier.wosWOS:000697940400004en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorParlak, Cihan
dc.language.isoenen_US
dc.publisherElseiveren_US
dc.relation.ispartofMaterials Today Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPhonon-Dispersionen_US
dc.subjectSuperconductivityen_US
dc.subjectCAen_US
dc.subjectSRen_US
dc.subjectSuperconductorsen_US
dc.subjectAb Initio Calculationsen_US
dc.subjectElastic Propertiesen_US
dc.subjectElectronic Structureen_US
dc.subjectPhononsen_US
dc.titleFirst-principles study of the electronic structure and elastic properties of SrGa2 under pressureen_US
dc.typeArticleen_US

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