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 effectivemigration 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.

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

COLOMBO, LUCIANO
2011-01-01

Abstract

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 effectivemigration 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.
2011
Amorphous silicon; Self-diffusion; Atomistic simulations
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/31544
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