Atomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface

dc.contributor.authorÖzkaya, S.
dc.contributor.authorÇakmak, M.
dc.contributor.authorAlkan, B.
dc.date.accessioned2019-10-21T06:29:40Z
dc.date.available2019-10-21T06:29:40Z
dc.date.issued2008
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description*Çakmak, M. ( Aksaray, Yazar )
dc.description.abstractWe have examined the Si(111) surface with 1/3 monolayer of group-IV elements within the ab initio density functional theory. We have considered two possible threefoldcoordinated sites for the atom adsorption: (i) H3 site (this site is directly above a fourth-layer Si atom and (ii) T4 site (directly above a second-layer Si atom). For the atoms Ge, Sn, and Pb, the T4 position always gives the most stable configuration, comparing with the H3 site. The calculated energy difference between T4 and H3 for Pb, Ge, and Sn, is 0.32 eV, 0.59 eV, and 0.41 eV, respectively. We have also presented electronic band structure and orbital character of the surface states of the Sn/Si(111)-(? 3× ? 3) surface.
dc.description.abstract...
dc.identifier.doi10.1088/1742-6596/100/7/072025
dc.identifier.endpage-en_US
dc.identifier.issue-en_US
dc.identifier.startpage-en_US
dc.identifier.urihttps://dx.doi.org/10.1088/1742-6596/100/7/072025
dc.identifier.urihttps://hdl.handle.net/20.500.12451/6887
dc.identifier.volume100en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherIOP Publishing
dc.relation.ispartofJournal of Physics: Conference Series
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectTotal-Energy Calculations
dc.subjectAugmented-Wave Method
dc.subjectNoncontact Afm
dc.subjectBasıs-Set
dc.subjectMetals
dc.subjectPb
dc.subjectSi(111)
dc.titleAtomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface
dc.typeProject

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