Defect-related growth processes at an amorphous/crystalline interface: a molecular dynamics study

The structure of the interface between amorphous Si and {100}Si and its change during thermal annealing at 1000 K is investigated using classical molecular dynamics simulations. The defect structure of the interface can be reduced to two complex defect structures which contain dimers. The two defect structures are proved to be only two interface modifications of a topological defect of crystalline silicon called bond defect. The annealing of the bond defect at the interface contributes to crystallization where an uncompleted [110] ledge of a {111} terrace is completed and simultaneously a ledge perpendicular to this ledge is opened. This process is discussed within the kink-model of crystallization.