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      Prediction of a two-dimensional crystalline structure of nitrogen atoms

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      Author(s)
      Özçelik, V. O.
      Aktürk, O. U.
      Durgun, Engin
      Çıracı, Salim
      Date
      2015
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      10980121
      Publisher
      American Physical Society
      Volume
      92
      Issue
      12
      Pages
      125420-1 - 125420-8
      Language
      English
      Type
      Article
      Item Usage Stats
      161
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      Abstract
      Based on first-principles density functional calculations, we predict that nitrogen atoms can form a single-layer, buckled honeycomb structure called nitrogene, which is rigid and stable even above room temperature. This 2D crystalline phase of nitrogen, which corresponds to a local minimum in the Born-Oppenheimer surface, is a nonmagnetic insulator with saturated π bonds. When grown on a substrate like Al(111) surface and graphene, nitrogene binds weakly to substrates and hence preserves its free-standing properties, but it can easily be pealed off. Zigzag and armchair nanoribbons of nitrogene have fundamental band gaps derived from reconstructed edge states. These band gaps are tunable with size and suitable for the emerging field of 2D electronics. Nitrogene forms not only bilayer, but also 3D graphitic multilayer structures. Single-layer nitrogene can nucleate and grow on the armchair edges of hexagonal boron nitride.
      Permalink
      http://hdl.handle.net/11693/21014
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.92.125420
      Collections
      • Department of Physics 2397
      • Institute of Materials Science and Nanotechnology (UNAM) 1930
      • Nanotechnology Research Center (NANOTAM) 1063
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