Equilibrium structure of tantalum oxygen clusters

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dc.contributor.authorDalgic, S. Sentuerk
dc.contributor.authorCaliskan, M.
dc.date.accessioned2024-06-12T11:16:01Z
dc.date.available2024-06-12T11:16:01Z
dc.date.issued2007
dc.departmentTrakya Üniversitesien_US
dc.description6th International Conference of the Balkan-Physical-Union -- AUG 22-26, 2006 -- Istanbul, TURKEYen_US
dc.description.abstractWe determine a refined model for the interionic interactions in TaOn clusters by an analysis of data on their molecular structures. The potential energy function of an ionic cluster we adopt is based on the interionic force model proposed by Akdeniz and Tosi. The microscopic model used for Tantalum oxygen clusters incorporates the Born Model of cohesion and shell model for vibrational motions and crystal defects. Electron shell deformability is described through the effective valences, the electric and overlap polarizabilities of the oxygens, the electric polarizability of the tantalum ions. The two different overlap repulsive energy form have been tested. The molecular structure of clusters in equilibrium have been shown. It has been found in a good agreement for the bond lengths and bond angles by comparing with those obtained by chemical structure calculations and experimental data. Thus the applicability of interionic model is tested for transition metal oxide clusters.en_US
dc.description.sponsorshipBalkan Phys Union,Turkish Phys Soc,Istanbul Univ,Yildiz Tech Univ,Bogaz Univ,Dogus Univ,European Phys Soc,Govt Istanbul,Istanbul Metropolitan Municipal,Turkish Atomic Energy Author,Sci & Technol Res Council Turkey,United Natl Educ Sci & Cultutal Org,NEL Electroniken_US
dc.identifier.endpage559en_US
dc.identifier.isbn978-0-7354-0404-5
dc.identifier.issn0094-243X
dc.identifier.scopus2-s2.0-34547484355en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage559en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24163
dc.identifier.volume899en_US
dc.identifier.wosWOS:000246647900273en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofSix International Conference Of The Balkan Physical Unionen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectTaoen_US
dc.subjectTao2en_US
dc.subjectTao3en_US
dc.subjectInterionic Force Modelen_US
dc.titleEquilibrium structure of tantalum oxygen clustersen_US
dc.typeConference Objecten_US

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