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      Electronic properties of Li-doped zigzag graphene nanoribbons

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      Author(s)
      Narin, P.
      Kutlu, E.
      Sarikavak-Lisesivdin, B.
      Lisesivdin, S. B.
      Özbay, Ekmel
      Date
      2016
      Source Title
      Physica E: Low-Dimensional Systems and Nanostructures
      Print ISSN
      1386-9477
      Publisher
      Elsevier B.V.
      Volume
      84
      Pages
      543 - 547
      Language
      English
      Type
      Article
      Item Usage Stats
      212
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      255
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      Abstract
      Zigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom.
      Keywords
      DFT
      Doping
      Electronic properties
      Nanoribbon
      Permalink
      http://hdl.handle.net/11693/36785
      Published Version (Please cite this version)
      http://dx.doi.org/10.1016/j.physe.2016.06.018
      Collections
      • Department of Electrical and Electronics Engineering 3868
      • Department of Physics 2485
      • Nanotechnology Research Center (NANOTAM) 1125
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