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      Elastic and plastic deformation of graphene, silicene, and boron nitride honeycomb nanoribbons under uniaxial tension: A first-principles density-functional theory study

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      Author(s)
      Topsakal, M.
      Çıracı, Salim
      Date
      2010
      Source Title
      Physical Review B - Condensed Matter and Materials Physics
      Print ISSN
      1098-0121
      Publisher
      American Physical Society
      Volume
      81
      Issue
      2
      Pages
      024107-1 - 024107-6
      Language
      English
      Type
      Article
      Item Usage Stats
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      Abstract
      This study of elastic and plastic deformation of graphene, silicene, and boron nitride BN honeycomb nanoribbons under uniaxial tension determines their elastic constants and reveals interesting features. In the course of stretching in the elastic range, the electronic and magnetic properties can be strongly modified. In particular, it is shown that the band gap of a specific armchair nanoribbon is closed under strain and highest valance and lowest conduction bands are linearized. This way, the massless Dirac fermion behavior can be attained even in a semiconducting nanoribbon. Under plastic deformation, the honeycomb structure changes irreversibly and offers a number of new structures and functionalities. Cagelike structures, even suspended atomic chains can be derived between two honeycomb flakes. Present work elaborates on the recent experiments C. Jin, H. Lan, L. Peng, K. Suenaga, and S. Iijima, Phys. Rev. Lett. 102, 205501 2009 deriving carbon chains from graphene. Furthermore, the similar formations of atomic chains from BN and Si nanoribbons are predicted.
      Permalink
      http://hdl.handle.net/11693/22455
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.81.024107
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      • Department of Physics 2397
      • Institute of Materials Science and Nanotechnology (UNAM) 1930
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