Atomic scale KMC simulation of {100} oriented CVD diamond film growth under low substrate temperature - Part I: Simulation of CVD diamond film growth under Joe-Badgwell-Hauge model

The growth of {100} oriented CVD (Chemical Vapor Deposition) diamond film under Joe-Badgwell-Hauge (J-B-H) model is simulated at atomic scale by using revised KMC (Kinetic Monte Carlo) method. The results show that: (1) under Joe's model, the growth mechanism from single carbon species is suitable for the growth of 100 oriented CVD diamond film in low temperature; (2) the deposition rate and surface roughness (R,) under Joe's model are influenced intensively by temperature (T,) and not evident bymass fraction w(Cl) of atom chlorine; (3)the surface roughness increases with the deposition rate, i.e. the film quality becomes worse with elevated temperature, in agreement with Grujicic's prediction; (4) the simulation results cannot make sure the role of single carbon insertion.