CVD金刚石膜{100}取向在改进化学反应模型下生长的原子尺度模拟

An Atomic Scale Simulation on {100} Oriented CVD Diamond Film Grown under Modified Chemical Reaction Model

摘要:

建立了CVD金刚石膜{100}取向生长过程中的化学反应模型，表面吸附生长机制以沟槽处碳氢组元加入的机制为主，并用改进的KMC方法在原子尺度上模拟了该模型下（100）表面的生长过程，给出了衬底温度和甲基浓度等操作参数对膜质量的影响，结果表明，该化学反应模型能够较实际地揭示{100}取向CVD金刚石膜的生长。

Abstract:

In this paper, the chemical reaction model in the growth of {100} orie nted CVD (chemical vapour deposition)diamond film is founded, and the growth mec hanisms of surface chemisorption are related to: (1) the BCN mechanism; (2) the dimer insertion; and (3) the trough insertion, in which the trough insertion mec hanism is in dominant. The growth process of (100) surface under this model is s imulated in atomic scale by using the modified KMC method, and the effect of sub strate temperature and CH3 concentration on film quality is provided. The result s show that this chemical reaction model can actually reveal the growth of {100} oriented CVD diamond film.