Semi-empirical potentials for CuI

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dc.contributor.authorDalgic, SS
dc.contributor.authorGurbuz, H
dc.contributor.authorCaliskan, M
dc.contributor.authorOzgec, O
dc.date.accessioned2024-06-12T11:14:02Z
dc.date.available2024-06-12T11:14:02Z
dc.date.issued2005
dc.departmentTrakya Üniversitesien_US
dc.description2nd International Workshop on Amorphous and Nanostructured Chalcogenides -- JUN 20-24, 2005 -- Sinaia, ROMANIAen_US
dc.description.abstractWe have investigated the prospects for developing semi-empirical model potentials for use in the studies of structural properties of CuI with integral equation theories. The point of view adopted requires that only short range two atom and three atom interactions appear. A three-body potential of Tersoff has been tasted with the hypernetted chain integral equation by calculating the pair correlation function for CuI at 710 K. The two-body and three-body Kohen-Tully-Stillinger empirical interatomic potential has been applied. The structural results of liquid CuI have been compared with experiment and those obtained by rigid ion potentials.en_US
dc.description.sponsorshipMinist Educ & Res,ROMGAZ SAen_US
dc.identifier.endpage2068en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-24644504890en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage2059en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/23779
dc.identifier.volume7en_US
dc.identifier.wosWOS:000231406500049en_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.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSemi-Empirical Potentialsen_US
dc.subjectCuien_US
dc.subjectStructureen_US
dc.subjectMolecular-Dynamics Simulationen_US
dc.subjectComputer-Simulationen_US
dc.subjectIonic-Conductionen_US
dc.subjectPair Potentialsen_US
dc.subjectSiliconen_US
dc.subjectMetalsen_US
dc.subjectCubren_US
dc.subjectCuclen_US
dc.subjectCoordinationen_US
dc.subjectTransitionen_US
dc.titleSemi-empirical potentials for CuIen_US
dc.typeConference Objecten_US

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