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REACTION PROBABILITIES OF ENERGETIC SPECIES AT GROWING DIAMOND FILM SURFACES BY MOLECULAR DYNAMICS SIMULATION
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作者 Q.Y. Zhang e. bauer- grosse 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2002年第1期131-135,共5页
A Molecular Dynamics (MD) simulation with Tersoff empirical many-bodypotential has been employed to investigate the growth processes of diamond film with energeticspecies deposition. In the present study, we have stud... A Molecular Dynamics (MD) simulation with Tersoff empirical many-bodypotential has been employed to investigate the growth processes of diamond film with energeticspecies deposition. In the present study, we have studied the reaction probabilities of energeticspecies with energies of 0.1 e V to 10eV at the substrate temperature of 1100K. In the cases of thediamond growth on the surface with H passivation, the reaction probability of hydrocarbon speciesconsiderably increases when the species energy is higher than 2eV. This means that the diamond filmcan grow in the case of high incident species energy without the process of hydrogen abstraction,which is needed in the case of incident species with low energy. The reaction mechanism of energeticspecies on hydrogen passivated diamond surface is also discussed. 展开更多
关键词 molecular dynamics simulation diamond film growth reaction probability
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