Ion-electron pseudopotentials for liquid alloys with small charge-transfer effects

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dc.authoridSENTURK DALGIC, SERAP/0000-0003-2541-9214
dc.authoridGonzalez, Luis E/0000-0001-6264-8329
dc.authorwosidPNM, GIR/O-7902-2014
dc.authorwosidGONZALEZ, DAVID/JDD-2892-2023
dc.authorwosidGonzalez, David/IPU-3884-2023
dc.authorwosidGonzalez, Luis E/O-8836-2014
dc.contributor.authorGonzalez, LE
dc.contributor.authorDalgic, SS
dc.contributor.authorGonzalez, DJ
dc.contributor.authorSilbert, M
dc.date.accessioned2024-06-12T11:19:22Z
dc.date.available2024-06-12T11:19:22Z
dc.date.issued1996
dc.departmentTrakya Üniversitesien_US
dc.description9th International Conference on Liquid and Amorphous Metals -- AUG 27-SEP 01, 1995 -- CHICAGO, ILen_US
dc.description.abstractA formalism for computing pseudopotentials for alloys is presented which introduces small charge-transfer effects, so that metallic bonding is still dominant. In this work, the pseudopotentials are calculated by taking into account, through averages, the presence of the two types of ions using the neutral pseudoatom method and by allowing for small chemical effects through charge transfer from the conduction band to one of the components of the alloy. Two possible models for the charge transfer are discussed. Results are presented for a liquid Li-Ba alloy as a test case.en_US
dc.identifier.endpage906en_US
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.scopus2-s2.0-0030565773en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage901en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/25183
dc.identifier.volume207en_US
dc.identifier.wosWOS:A1996WB29300091en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal Of Non-Crystalline Solidsen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectMolecular-Dynamicsen_US
dc.subjectLi/Ba Alloysen_US
dc.subjectDensityen_US
dc.titleIon-electron pseudopotentials for liquid alloys with small charge-transfer effectsen_US
dc.typeConference Objecten_US

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