Molecular-dynamics simulations of recrystallization processes in silicon: Nucleation and crystal growth in the solid-phase and melt

It is of increasing importance to understand crystallization processes of silicon (Si) in atomic scale for developing high-speed thin film transistors. We have performed molecular-dynamics (MD) simulations of nucleation, crystallization and defect formation processes in amorphous Si (a-Si) as well as in liquid Si (1-Si). Based on the MD simulation results combined with high-resolution electron microscopy measurements, it is proposed that the crystallization and defect formation processes are controlled by the interface nanostructures between disordered and crystalline Si. It is also suggested that nucleation and crystal growth in a-Si films deposited on glass during excimer laser annealing occur in amorphous-solid and low-density liquid phases rather than in supercooled 1-Si as has been generally accepted. copyright The Electrochemical Society.