Classical molecular dynamics simulation techniques were used to study the re-growth behavior of amorphous pockets in Si. It was demonstrated that crystallization depended upon the morphology of the pocket/crystal interface. Although the simulated amorphous pockets did not have any excess or deficit of atoms with respect to a perfect crystal, residual defects were found after re-growth. Most of them were single Si interstitials and vacancies, but larger defects were also encountered. Their atomic structures were determined and their formation energies were calculated. These complexes were more stable than amorphous pockets, and might trigger the formation of extended defects or favor damage accumulation.

Recrystallization of Atomically Balanced Amorphous Pockets in Si - a Source of Point Defects. L.A.Marqués, L.Pelaz, P.López, I.Santos, M.Aboy: Physical Review B, 2007, 76[15], 153201 (4pp)