Molecular-dynamics simulations of nucleation and crystallization processes of laser crystallized poly-Si

The nucleation and crystallization processes of excimer-laser annealed Si on a SiO₂ substrate for complete melting conditions have been investigated by using molecular-dynamics simulations. In the early stage of nucleation, the preferential growth of nuclei with a {111} face normal to the surface was originated from the {111} twin boundaries with a low surface energy. The partial rotation of the dimer leads to the growth of {111}-oriented nuclei along twins that have different stacking sequences. The recombination of vacancies and dimers at the solidification front is directly related to {111} growth from the twin boundaries.