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

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

2010-12-30

arxiv.org/abs/1101.0065v1

Physics

Condensed Matter

Materials Science

9 pages, 4 figures

Scientific paper

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 diffusivities in the one with a higher initial percentage of coordination defects.

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