Molecular dynamics simulation of the thin film fabrication process

Abstract

There is an increased demand of the explanation of the thin film fabrication mechanism, especially for thickness uniformity, film quality and product yield. Any modeling of the mechanism requires a sufficient knowledge of the basic mechanism of interaction and reaction of the particles with the substrate. As a first step, here, the model of silicon thin film formation under low-pressure CVD is considered. Silicon film formation and growth on a clean solid substrate is simulated applying the molecular dynamics and chemical reaction principles. The analyzed domain is enclosed in a hexagonal box which has periodic boundary conditions and a different flow energy of the particle. The atom surface adsorption and inelastic collision are discussed considering the exchange energy between the particles and the surface. In order to provide a well visualized description, a graphics program is made to show the particle movement and the film fabricating process in three dimensions. The present simulation is advantageous to the macro-understanding of the thin film formation mechanism and to fabricating the machine design with optimum control.