Atomic—Scale Kinetic Monte Carlo Simulation of {100}—Oriented Diamond Film Growth in C—H and C—H—CI Systems by Chemical Vapour Deposition

We simulate the {100}-oriented diamond film growth of chemical vapour deposition (CVD) under different models in C-H and C-H-Cl systems in an atomic scale by using the revised kinetic Monte Carlo method.The simulation results show that:(1) the CVD diamond film growth in the C-H system is suitable for high substrate temperature,and the film surface roughness is very coarse;(2) the CVD diamond film can grow in the C-H-Cl system either at high temperature or at low temperature,and the film quality is outstanding;(3) atomic Cl takes an active role for the growth of diamond film,especially at low temperatures.The concentration of atomic Cl should be controlled in a proper range.