Molecular Dyanamics Simulation of Thermal Chemical Vapor Deposition for Hydrogenated Amorphous Silicon on Si (100) Substrate by Reactive Force-Field

We calculate a deposition process of hydrogenated amorphous silicon (a-Si:H) films on a silicon (100) substrate by reactive force-field molecular dynamics simulations. The influences of (a) substrate temperatures and (b) coverage of hydrogen atoms on the substrate on the adsorption probability are investigated, and it is found out that (a) the adsorption probability is almost constant for SiH2 and SiH3, but decrease with increase in the substrate temperature for SiH4, (b) it decreases with the increase in hydrogen coverage.