Structure of liquid alikaline earth metals and metal alloys using a new transferable local pseudopotential

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dc.contributor.authorKes, H
dc.contributor.authorDalgic, SS
dc.contributor.authorDalgic, S
dc.contributor.authorTezgor, G
dc.date.accessioned2024-06-12T11:07:43Z
dc.date.available2024-06-12T11:07:43Z
dc.date.issued2003
dc.departmentTrakya Üniversitesien_US
dc.description.abstractIn this work, we have obtained the structural properties of liquid Ca, Sr and Ba near their melting points using the thermodynamically self consistent liquid state theory, the variational modified hypernetted chain (VMHNC) approximation with the effective pair potentials which are derived from the second order perturbation theory using the recently proposed transferable electron-ion potential of Fiolhais and co-workers. One has been noted that this potential is non realistic for the alkaline earths (Ca, Sr, Ba) because of the strongly nonlocal character. In this work, it has been shown that the computed structure factors and pair distribution functions near their melting points are in good agreement with experimental data. It has been also applied to the liquid alloys to predict the pair interactions and the partial structure factors by taking Li-Ba. as a model alloy, The structural properties of Li-Ba alloys are presented for different concentrations by comparing with experimental data.en_US
dc.identifier.endpage1291en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue5en_US
dc.identifier.startpage1281en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22164
dc.identifier.volume5en_US
dc.identifier.wosWOS:000185495700034en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherNatl Inst Optoelectronicsen_US
dc.relation.ispartofJournal Of Optoelectronics And Advanced Materialsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectLiquid Structureen_US
dc.subjectPseudopotentialsen_US
dc.subjectEffective Potentialsen_US
dc.subjectAlkaline Earth Metalsen_US
dc.subjectDensityen_US
dc.subjectCompressibilityen_US
dc.subjectPotentialsen_US
dc.titleStructure of liquid alikaline earth metals and metal alloys using a new transferable local pseudopotentialen_US
dc.typeArticleen_US

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