CVD金刚石膜｛100｝取向生长的原子尺度仿真  

Atomic Scale Simulation of {100} Oriented CVD Diamond Film Grown

作　　者：安希忠[1] 张禹[2] 刘国权[1] 秦湘阁[1] 王辅忠[1] 刘胜新[1] 

机构地区：[1]北京科技大学材料科学与工程学院,北京100083 [2]北京科技大学应用科学学院,北京100083

出　　处：《北京科技大学学报》2002年第2期143-148,共6页Journal of University of Science and Technology Beijing

基　　金：国家自然科学基金资助课题(No.59872003)

摘　　要：运用动力学蒙特卡洛（ＫＭＣ）方法从原子尺度对ＣＶＤ金刚石膜｛１００｝取向在３种不同化学反应模型下的生长进行了仿真．结果表明：（１）以ＣＨ３为主要生长组元的生长机制比较适合于｛１００｝取向金刚石膜的生长；（２）对金刚石｛１００｝取向而言，含有双碳基团的模型沉积速度并不比含有单碳基团的模型沉积速度大；（３）在高的生长速率下仍有可能获得表面粗糙度较小的金刚石膜；（４）对Ｈａｒｒｉｓ模型的仿真结果与其本人的预测结果一致，并与实验结果符合良好．The growth of {100} oriented CVD diamond film under three different chemical models (In- cluding Harris model, F-B model and model proposed in this paper, respectively) is simulated in atomic scale by using KMC method. The results show that: (1) the growth mechanism from CH3 is suitable for the growth of {100} oriented CVD diamond film; (2)the deposition rate under model containing double-carbon radicals is lower than that under model containing one-carbon radicals for {100} oriented diamond film;(3)the acqui- sition of diamond film with low surface roughness under relatively high deposition rate is feasible; (4) the simulation results for Harris' model are in well agreement with those predicted by Harris and experiment re- sults.

关 键 词：CVD 金刚石膜 取向 生长 原子尺度 仿真 

分 类 号：O484.1[理学—固体物理] TQ164[理学—物理]