Universidad de Valladolid

Universidad de Valladolid

Recrystallization of atomically balanced amorphous pockets in Si: A source of point defects

L. A. Marqués, L. Pelaz, P. López, I. Santos and M. Aboy

Physical Review B 76, 153201 (2007)


Abstract:

We use classical molecular dynamics simulation techniques to study the regrowth behavior of amorphous pockets in Si. We demonstrate that crystallization depends on the morphology of the pocket-crystal interface. Although our simulated amorphous pockets had not any excess nor deficit of atoms with respect to perfect crystal, after regrowth we found residual defects. Most of them are single Si interstitials and vacancies, but also larger defects have been encountered. We have determined their atomic structures and calculated their formation energies. These complexes are more stable than amorphous pockets, and may trigger the formation of extended defects or favor damage accumulation.

DOI: 10.1103/PhysRevB.76.153201

PDF: Recrystallization of atomically balanced amorphous pockets in Si: A source of point defects

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