Silicite: the layered allotrope of silicon

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage085426-5en_US
dc.citation.issueNumber8en_US
dc.citation.spage085426-1en_US
dc.citation.volumeNumber90en_US
dc.contributor.authorCahangirov, S.en_US
dc.contributor.authorÖzçelik, V. O.en_US
dc.contributor.authorRubio, A.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2015-07-28T12:02:15Z
dc.date.available2015-07-28T12:02:15Z
dc.date.issued2014en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractBased on first-principles calculations, we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon crystal, they have wider indirect band gaps but also increased absorption in the visible range making them more interesting for photovoltaic applications. These stable phases consist of intriguing stacking of dumbbell patterned silicene layers having trigonal structure with root 3x root 3 periodicity of silicene and have cohesive energies smaller but comparable to that of the cubic diamond silicon. Our findings also provide atomic scale mechanisms for the growth of multilayer silicene as well as silicites.en_US
dc.description.provenanceMade available in DSpace on 2015-07-28T12:02:15Z (GMT). No. of bitstreams: 1 8167.pdf: 2337953 bytes, checksum: 533d30b37b302ffeee2978a89fe889e8 (MD5)en
dc.identifier.doi10.1103/PhysRevB.90.085426en_US
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/11693/12629
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.90.085426en_US
dc.source.titlePhysical Review Ben_US
dc.subject68.65.Acen_US
dc.subject73.61.Eyen_US
dc.subject81.05.Dzen_US
dc.titleSilicite: the layered allotrope of siliconen_US
dc.typeArticleen_US

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Department of Physics
Institute of Materials Science and Nanotechnology (UNAM)
Nanotechnology Research Center (NANOTAM)