Equilibrium structure of germanium sulfur GenSm clusters

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dc.contributor.authorDalgic, S. Senturk
dc.contributor.authorCaliskan, M.
dc.date.accessioned2024-06-12T11:02:35Z
dc.date.available2024-06-12T11:02:35Z
dc.date.issued2007
dc.departmentTrakya Üniversitesien_US
dc.description3rd International Conference on Amorphous and Nanostructured Chalcogenides -- JUL 02-06, 2007 -- Brasov, ROMANIAen_US
dc.description.abstractWe determine a refined model for the interionic interactions in GenSm clusters by an analysis of data on their molecular structures. The adopted potential energy function is based on the interionic force model proposed by Akdeniz and Tosi. The microscopic model used for GenSm clusters incorporates the Born Model of cohesion and shell model for vibrational motions, bond length and crystal defects. Electron shell deformability is described through the effective valences, the electric and overlap polarizabilities of the sulfurs. The two different overlap repulsive energy form have been tested. The equilibrium molecular structure has also been predicted with molecular dynamics simulation. It has been shown that the calculated bond lengths and bond angles are in good agreement with experimental data and those obtained by chemical structure calculations. In addition, the liquid structure of GeS2 is obtained by Variational Hypernetted Chain (VMHNC) approximation using the effective potential derived from the interionic force model within the polarizable ion potential.en_US
dc.identifier.endpage3060en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue10en_US
dc.identifier.startpage3054en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21342
dc.identifier.volume9en_US
dc.identifier.wosWOS:000250711500014en_US
dc.identifier.wosqualityQ3en_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.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectGensmen_US
dc.subjectInterionic Force Modelen_US
dc.subjectEquilibrium Structureen_US
dc.subjectGes2 Glassesen_US
dc.subjectIonic Modelen_US
dc.subjectMetalsen_US
dc.subjectSpectroscopyen_US
dc.subjectPotentialsen_US
dc.subjectAluminumen_US
dc.subjectHalidesen_US
dc.subjectRangeen_US
dc.subjectUnitsen_US
dc.titleEquilibrium structure of germanium sulfur GenSm clustersen_US
dc.typeConference Objecten_US

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