Equilibrium structure of germanium selenide GenSem clusters

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dc.authorwosidcanan, cem/Y-7890-2019
dc.contributor.authorDalgic, S. Senturk
dc.contributor.authorCaliskan, M.
dc.contributor.authorCanan, C.
dc.date.accessioned2024-06-12T11:02:35Z
dc.date.available2024-06-12T11:02:35Z
dc.date.issued2010
dc.departmentTrakya Üniversitesien_US
dc.description.abstractA refined model for the interionic interactions in GenSem clusters by an analysis of data on their molecular structures has been studied. The adopted potential energy function is based on the interionic force model proposed by Akdeniz and Tosi. The microscopic model used for GenSem clusters incorporates the Born Model of cohesion and shell model for vibrational motions, bond length and crystal defects. Busing overlap repulsive energy form have been used with electron shell deformability described through the effective valences, the electric and overlap polarizabilities of the ions. The equilibrium molecular structures have also been predicted by the molecular dynamics calculations based on proposed model. 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 GeSe is obtained by Variational Hypernetted Chain (VMHNC) approximation and molecular dynamics (MD) simulation using the effective potential derived from the interionic force model within the polarizable ion potential.en_US
dc.description.sponsorshipResearch Foundation of Trakya University [TUBAP 780]en_US
dc.description.sponsorshipThis work is supported from the Research Foundation of Trakya University under Project Number TUBAP 780.en_US
dc.identifier.endpage249en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-77949435941en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage244en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21341
dc.identifier.volume12en_US
dc.identifier.wosWOS:000275651000012en_US
dc.identifier.wosqualityQ4en_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.subjectGensemen_US
dc.subjectInterionic Force Modelen_US
dc.subjectEqulibrium Structureen_US
dc.subjectIonic Modelen_US
dc.subjectLiquiden_US
dc.subjectTopologyen_US
dc.subjectAluminumen_US
dc.subjectGese2en_US
dc.subjectUnitsen_US
dc.titleEquilibrium structure of germanium selenide GenSem clustersen_US
dc.typeArticleen_US

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