MD simulations of ion beam induced epitaxial crystallization at a-Si/c-Si interfaces: interface structure and elementary processes of crystallization

Elementary processes of crystallization at a-Si/(001) c-Si interfaces are i nvestigated by molecular dynamics simulations using the Stillinger-Weber an d the Tersoff potential. The interface structure of differently prepared in terface systems is investigated. It is shown that two special defect struct ures exist at the interfaces independent of the preparation conditions and the interaction potential used. These interface structures could be explain ed by different views of the bond defect in c-Si investigated by Cargnoni e t al. (Phys. Rev. B 57 (1998) 170). Crystallization at the a-Si/c-Si interf ace takes place by bond rearrangements similar to the annealing of the bond defect in the Si crystal. These bond rearrangements could be induced by lo w energy recoils. (C) 1999 Elsevier Science B.V. All rights reserved.