Energetics and atomic mechanisms of dislocation nucleation in strained epitaxial layers

  title={Energetics and atomic mechanisms of dislocation nucleation in strained epitaxial layers},
  author={Oleg Trushin and Enzo Granato and S. -C. Ying and Petri Salo and Tapio Ala‐Nissila},
  journal={Physical Review B},
We numerically study the energetics and atomic mechanisms of misfit dislocation nucleation and stress relaxation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Relaxation processes from coherent to incoherent states for different transition paths are studied using interatomic potentials of Lennard-Jones type and a systematic saddle-point and transition-path search method. The method is based on a combination of a repulsive potential… Expand

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