Atomic structure of the √3 × √3 phase of silicene on Ag (111)

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage035448-5en_US
dc.citation.issueNumber3en_US
dc.citation.spage035448-1en_US
dc.citation.volumeNumber90en_US
dc.contributor.authorCahangirov, S.en_US
dc.contributor.authorÖzçelik, V. O.en_US
dc.contributor.authorXian, L.en_US
dc.contributor.authorAvila, J.en_US
dc.contributor.authorCho, S.en_US
dc.contributor.authorAsensio, M. C.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.contributor.authorRubio, A.en_US
dc.date.accessioned2015-07-28T12:02:15Z
dc.date.available2015-07-28T12:02:15Z
dc.date.issued2014-07-28en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractThe growth of the 3√×3√ reconstructed silicene on Ag substrate has been frequently observed in experiments while its atomic structure and formation mechanism is poorly understood. Here, by first-principles calculations, we show that 3√×3√ reconstructed silicene is constituted by dumbbell units of Si atoms arranged in a honeycomb pattern. Our model shows excellent agreement with the experimentally reported lattice constant and STM image. We propose a new mechanism for explaining the spontaneous and consequential formation of 3√×3√ structures from 3×3 structures on Ag substrate. We show that the 3√×3√ reconstruction is mainly determined by the interaction between Si atoms and have weak influence from Ag substrate. The proposed mechanism opens the path to understanding of multilayer silicon. ©2014 American Physical Societyen_US
dc.description.provenanceMade available in DSpace on 2015-07-28T12:02:15Z (GMT). No. of bitstreams: 1 8165.pdf: 1322022 bytes, checksum: 4c0bf81353e11ec335f6d0458de8eb9c (MD5)en
dc.identifier.doi10.1103/PhysRevB.90.035448en_US
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/11693/12628
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.90.035448en_US
dc.source.titlePhysical Review Ben_US
dc.subject68.65.Acen_US
dc.subject73.61.Eyen_US
dc.subject81.05.Dzen_US
dc.titleAtomic structure of the √3 × √3 phase of silicene on Ag (111)en_US
dc.typeArticleen_US

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Department of Physics
Institute of Materials Science and Nanotechnology (UNAM)