Molecular-dynamics analysis of the nucleation and crystallization process of Si

Molecular-dynamics (MD) simulations of excimer-laser annealed Si using the Tersoff potential have been performed and the processes of the nucleation and crystallization of Si are monitored by the order parameter for each atom. The order parameter which identifies each atom belonging to the crystalline phase in amorphous and liquid-like environment is presented by a four-body correlation function. The simulation results show that the atomistic processes of the nucleation and crystallization of Si on crystalline Si (c-Si) substrates can be divided into several stages. Twins with low formation energy disturb the further crystallization of nucleus along the [1 1 1] direction.