Molecular Dynamics Simulations of Nucleation and Crystallization Processes During Excimer-Laser Annealing of Amorphous Silicon on Glass

Abstract

We have investigated atomistic processes of nucleation and crystallization in excimer-laser annealed thin Si films on glass based on molecular-dynamics (MD) simulations using the Tersoff potential. MD cells composed of up to approximately 50000 Si atoms were heated to produce melted Si, and then melted Si was quenched under various supercooled conditions with or without a temperature gradient and the corresponding nucleation processes were visualized. Lateral growth of thin Si crystalline films was also simulated by embedding a crystalline nano-particle with various crystal surfaces in melted Si. It has been found that the crystal surfaces become predominantly {111} during the lateral growth processes.