Atomic scale interactions between hydrocarbon radicals and diamond (100) surfaces

Abstract We have carried out molecular dynamics simulations of hydrocarbon CHX (X = 0–3) radical irradiations onto (100) − (2 × 1) : H diamond surfaces. Various types of reactions have been observed and these are categorized into four types. Probabilities of these reaction types for all injected CHX radicals and their energy dependences are calculated. It is found that hydrocarbon radicals with less hydrogen atoms as well as CH3 may play a role of the growth species under operation with high power density and/or high electron temperature.