The growth of {100}-oriented CVD diamond film under two modifications of J-B-H model at low substrate temperatures was simulated by using a revised KMC method at atomic scale. The results were compared both in Cl-containing systems and in C-H system as follows: (1) Substrate temperature can produce an important effect both on film deposition rate and on surface roughness; (2) Aomic Cl takes an active role for the growth of diamond film at low temperatures; (3) {100}-oriented diamond film cannot deposit under single carbon insertion mechanism, which disagrees with the predictions before; (4) The explanation of the exact role of atomic Cl is not provided in the simulation results.

We simulate the {100}-oriented diamond f/lm 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.