Interatomic pair potentials and liquid structure of some HCP rare-earth metals

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dc.authoridÇeltek, Murat/0000-0001-7737-0411
dc.authoridsengul, sedat/0000-0003-2690-9354
dc.authorwosidÇeltek, Murat/I-7813-2019
dc.authorwosidsengul, sedat/AAY-6830-2021
dc.contributor.authorDalgic, SS
dc.contributor.authorDalgic, S
dc.contributor.authorCeltek, M
dc.contributor.authorSengul, S
dc.date.accessioned2024-06-12T11:07:43Z
dc.date.available2024-06-12T11:07:43Z
dc.date.issued2003
dc.departmentTrakya Üniversitesien_US
dc.description.abstractEffective pair potentials for some HCP liquid rare-carth metals near their melting points have been derived from the second order perturbation theory with the Heine-Abarenkov pseudopotential and the transferable electron-ion potential of Fiolhais and coworkers which was originally developed for the solid state. We have also constructed the Wills-Harrison (WH) model potentials. The s electron contribution to the effective potential has been taken into account with these potentials using different screening functions. in this work, recently proposed Karmakar-Joarder form of modified WH potentials has been applied to some HCP liquid metals, as Tb, Dy, Ho, Er and Lu in order to obtain the d state and f state contributions. The Singh form of WH potentials has also been calculated for comparison with those obtained by others. The liquid structure has been computed with both random phase approximation and the variational modified hypernetted chain (VMHNC) integral equation theory. It has been shown that the VMHNC results of static structure factors and pair distribution functions are in good agreement with the experimental data.en_US
dc.identifier.endpage1279en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-0346243669en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage1271en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22162
dc.identifier.volume5en_US
dc.identifier.wosWOS:000185495700033en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_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.subjectEffective Pair Potentialsen_US
dc.subjectRare-Earth Metalsen_US
dc.subjectElectronic-Structureen_US
dc.titleInteratomic pair potentials and liquid structure of some HCP rare-earth metalsen_US
dc.typeArticleen_US

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