The physical properties of AlB2-type structures CaGa2 and BaGa2 : An ab-initio study

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dc.authorid0000-0002-4004-8696
dc.contributor.authorParlak, Cihan
dc.date.accessioned2021-06-23T19:54:58Z
dc.date.available2021-06-23T19:54:58Z
dc.date.issued2020
dc.departmentBAİBÜ, Fen Edebiyat Fakültesi, Fizik Bölümüen_US
dc.description.abstractThe fundamental characteristic features including the lattice parameters, electronic structures, elastic constants, and vibrational properties of di-galadies CaGa2 and BaGa2 materials were investigated by using first-principles calculations. According to the findings, although the calculated elastic constants show that both the materials are found to be mechanically stable, the phonon dispersion curves reveal the dynamic instability of the former compound of CaGa2. Moreover, the parameters of Vicker's hardness, shear modulus, Young's modulus and Poisson's ratios are derived from the obtained single-crystal elastic constants. Detailed analyses of electronic band structures, partial densities of states and Fermi surface topologies are also given in the current study. Finally, using Allen-Dynes-modified McMillan formula the critical transition temperature (T-c) values are found to be 0.9 K and 1.2 K for the CaGa2 and BaGa2 respectively.en_US
dc.identifier.doi10.1016/j.physb.2019.411724
dc.identifier.issn0921-4526
dc.identifier.issn1873-2135
dc.identifier.scopus2-s2.0-85073258735en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.physb.2019.411724
dc.identifier.urihttps://hdl.handle.net/20.500.12491/10693
dc.identifier.volume576en_US
dc.identifier.wosWOS:000501335200016en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorParlak, Cihan
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofPhysica B-Condensed Matteren_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSuperconductorsen_US
dc.subjectAb Initio Calculationsen_US
dc.subjectElastic Propertiesen_US
dc.subjectElectronic Structureen_US
dc.subjectPhononsen_US
dc.titleThe physical properties of AlB2-type structures CaGa2 and BaGa2 : An ab-initio studyen_US
dc.typeArticleen_US

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