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

作　　者：安希忠[1] 张禹[1] 刘国权[1] 秦湘阁[1] 王辅忠[1] 刘胜新[1] 

机构地区：[1]北京科技大学,北京100083

出　　处：《稀有金属材料与工程》2002年第5期349-352,共4页Rare Metal Materials and Engineering

基　　金：国家自然科学基金(59872003); 北京科技大学资助项目(2001060879)

摘　　要：建立了CVD金刚石膜狖100狚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狖100狚取向CVD金刚石膜的生长。In this paper, the chemical reaction model in the growth of ( 100) oriented CVD (chemical vapour deposition) diamond film is founded, and the growth mechanisms of surface chemisorption are related to: (1) the BCN mechanism; (2) the dimer insertion; and (3) the trough insertion, in which the trough insertion mechanism is in dominant. The growth process of (100) surface under this model is simulated in atomic scale by using the modified KMC method, and the effect of substrate temperature and CH3 concentration on film quality is provided. The results show that this chemical reaction model can actually reveal the growth of ( 100) oriented CVD diamond film.

关 键 词：CVD 金刚石膜 KMC方法 原子尺度 化学反应模型 生长机制 

分 类 号：TB43[一般工业技术]