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      Electronic and magnetic properties of graphane nanoribbons

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      Author
      Şahin, H.
      Ataca, C.
      Çıracı, Salim
      Date
      2010
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      1550-235X
      Publisher
      American Physical Society
      Volume
      81
      Issue
      20
      Pages
      205417-1 - 205417-8
      Language
      English
      Type
      Article
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      Abstract
      In 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.
      Permalink
      http://hdl.handle.net/11693/22322
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.81.205417
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      • Department of Physics 2379
      • Institute of Materials Science and Nanotechnology (UNAM) 1904
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