Mechanical properties of graphene nanoribbons.

  title={Mechanical properties of graphene nanoribbons.},
  author={Ricardo Faccio and Pablo A. Denis and Helena Pardo and Cecilia Goyenola and {\'A}lvaro W. Mombr{\'u}},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  volume={21 28},
  • R. Faccio, P. Denis, +2 authors Á. Mombrú
  • Published 9 May 2009
  • Medicine, Physics
  • Journal of physics. Condensed matter : an Institute of Physics journal
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons in the presence of stress by applying density functional theory within the GGA-PBE (generalized gradient approximation-Perdew-Burke-Ernzerhof) approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of ± 0.02%. The mechanical properties show a linear response within that range while a nonlinear dependence is found for higher… 
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