Elucidating the atomistic mechanisms driving self-diffusion of amorphous Si during annealing

@article{Santos2011ElucidatingTA,
  title={Elucidating the atomistic mechanisms driving self-diffusion of amorphous Si during annealing},
  author={Iv{\'a}n Santos and Luis A. Marqu{\'e}s and Lourdes Pelaz and Luciano Colombo},
  journal={Physical Review B},
  year={2011},
  volume={83},
  pages={153201}
}
We have analyzed the atomic rearrangements underlying self-diffusion in amorphous Si during annealing using tight-binding molecular dynamics simulations. Two types of amorphous samples with different structural features were used to analyze the influence of coordination defects. We have identified several types of atomic rearrangement mechanisms, and we have obtained an effective migration energy of around 1 eV. We found similar migration energies for both types of samples, but higher… Expand
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