Electronic and magnetic properties of graphane nanoribbons

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage205417-8en_US
dc.citation.issueNumber20en_US
dc.citation.spage205417-1en_US
dc.citation.volumeNumber81en_US
dc.contributor.authorŞahin, H.en_US
dc.contributor.authorAtaca, C.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T09:58:37Z
dc.date.available2016-02-08T09:58:37Z
dc.date.issued2010en_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractIn this study, we investigate the electronic and magnetic properties of graphane nanoribbons. We find that zigzag and armchair graphane nanoribbons with H-passivated edges are nonmagnetic semiconductors. While bare armchair nanoribbons are also nonmagnetic, adjacent dangling bonds of bare zigzag nanoribbons have antiferromagnetic ordering at the same edge. Band gaps of the H-passivated zigzag and armchair nanoribbons exponentially depend on their width. Detailed analysis of adsorption of C, O, Si, Ti, V, Fe, Ge, and Pt atoms on the graphane ribbon surface reveal that functionalization of graphane nanoribbons is possible via these adatoms. It is found that C, O, V, and Pt atoms have tendency to replace H atoms of graphane. We showed that significant spin polarizations in graphane can be achieved through creation of domains of H vacancies and CH divacancies.en_US
dc.identifier.doi10.1103/PhysRevB.81.205417en_US
dc.identifier.issn1550-235X
dc.identifier.urihttp://hdl.handle.net/11693/22322
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.81.205417en_US
dc.source.titlePhysical Review B - Condensed Matter and Materials Physicsen_US
dc.titleElectronic and magnetic properties of graphane nanoribbonsen_US
dc.typeArticleen_US
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Institute of Materials Science and Nanotechnology (UNAM)
Department of Physics