REACTION PROBABILITIES OF ENERGETIC SPECIES AT GROWING DIAMOND FILM SURFACES BY MOLECULAR DYNAMICS SIMULATION
来源期刊：Acta Metallurgica Sinica2002年第1期
论文作者：Q.Y.Zhang E.Bauer-Grosse
Key words：molecular dynamics simulation; diamond film growth; reaction probability;
Abstract: A Molecular Dynamics (MD) simulation with Tersoff empirical many-body potentialhas been employed to investigate the growth processes of diamond film with energeticspecies deposition. In the present study, we have studied the reaction probabilities ofenergetic species with energies of 0.1 e V to 10e V at the substrate temperature of 1100K.In the cases of the diamond growth on the surface with H passivation, the reactionprobability of hydrocarbon species considerably increases when the species energy ishigher than 2e V. This means that the diamond film can grow in the case of highincident species energy without the process of hydrogen abstraction, which is neededin the case of incident species with low energy. The reaction mechanism of energeticspecies on hydrogen passivated diamond surface is also discussed.
Q.Y.Zhang1，E.Bauer-Grosse2
(1.State Key Laboratory for Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Dalian 116024, China;
2.Surface Science and Engineering Laboratory, Ecole des Mines de Nancy, Parc de Saurupt 54042 Nancy Cedex, France)
Abstract:A Molecular Dynamics (MD) simulation with Tersoff empirical many-body potentialhas been employed to investigate the growth processes of diamond film with energeticspecies deposition. In the present study, we have studied the reaction probabilities ofenergetic species with energies of 0.1 e V to 10e V at the substrate temperature of 1100K.In the cases of the diamond growth on the surface with H passivation, the reactionprobability of hydrocarbon species considerably increases when the species energy ishigher than 2e V. This means that the diamond film can grow in the case of highincident species energy without the process of hydrogen abstraction, which is neededin the case of incident species with low energy. The reaction mechanism of energeticspecies on hydrogen passivated diamond surface is also discussed.
Key words:molecular dynamics simulation; diamond film growth; reaction probability;
【全文内容正在添加中】
