Atomistic simulation of chemical vapor deposition of (111)-oriented diamond film using a kinetic Monte Carlo method

Chemical vapor deposition (CVD) of (111)-oriented diamond film is modeled using a kinetic Monte Carlo atomic scale method. The method is parameterized by the rates of the accompanying surface chemical reactions and permits one of these reactions to take place at each simulation step. The effect of local surface structure and morphology on the rates of surface reaction is examined. Film growth at two different chemical compositions of the feed gas and two substrate temperatures is studied in order to determine the effect of these process parameters on (a) the quality of the deposed film and (b) the rate of deposition. The quality of the film is judged by concentration of the point defects (vacancies and H atoms embedded in the film) and by surface roughness. The results obtained show that the parameters that increase the deposition rate, primarily the substrate temperature and the concentration of CH4 in the feed gas, also increase the defect content and surface roughness.