Stacking faults and partial dislocations in graphene

MP Ariza and R Serrano and JP Mendez and M Ortiz, PHILOSOPHICAL MAGAZINE, 92, 2004-2021 (2012).

DOI: 10.1080/14786435.2012.657254

We investigate two mechanisms of crystallographic slip in graphene, corresponding to glide and shuffle generalized stacking faults (GSF), and compute their gamma-curves using Sandia National Laboratories Large- scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). We find evidence of metastable partial dislocations for the glide GSF only. The computed values of the stable and unstable stacking-fault energies are suggestive of a high stability of full dislocations against dissociation and of dislocation dipoles against annihilation.

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