C-H-O和C-H-N体系生长金刚石膜的气相化学模拟

无机材料学报

C-H-O和C-H-N体系生长金刚石膜的气相化学模拟

戚学贵¹; 陈则韶¹; 王冠中²; 廖源²

1. 中国科学技术大学工程科学学院, 合肥 230027; 2. 中国科学技术大学物理系合肥 230026

收稿日期:2003-03-25 修回日期:2003-05-19 出版日期:2004-03-20 网络出版日期:2004-03-20

Simulation of Gas Phase Chemistry in C-H-O and C-H-N Systems for Chemical Vapor Deposition Diamond Films

QI Xue-Gui¹; CHEN Ze-Shao¹; WANG Guan-Zhong²; LIAO Yuan²

1.School of Engineering Science; University of Science and Technology of China; Hefei 230027; China; 2. Department of Physics; University of Science and Technology of China; Hefei 230026; China

Received:2003-03-25 Revised:2003-05-19 Published:2004-03-20 Online:2004-03-20

摘要/Abstract

摘要： 数值模拟了C-H-O和C-H-N体系的气相化学,构建了含氧和含氮气源化学气相沉积金刚石膜的三元相图,探讨了加氧和加氮影响金刚石膜生长的途径.结果表明,甲基是金刚石生长主要的前驱基团,乙炔导致非金刚石碳沉积,原子氢刻蚀非金刚石碳.通过气相反应改变这些基团的浓度是加氧的一个重要作用途径,而加氮在改变这些基团浓度的同时,CN等含氮基团还强烈地参与了金刚石膜成核和生长的表面过程.

关键词: 化学气相沉积, 金刚石膜, 气相化学, 相图

Abstract: Gas phase chemistry in C-H-O and C-H-N systems was simulated. Phase diagrams for chemical vapor
deposition diamond films with oxygen-containing and nitrogen-containing feed gases were successfully constructed. The influences of oxygen and
nitrogen addition on diamond growth were also discussed. It is shown methyl is the dominant diamond growth precursor, acetylene contributes to
non-diamond carbon deposition and atomic hydrogen etches non-diamond carbon. Oxygen addition varies the concentrations of these radicals, which influences
diamond growth. Nitrogen addition varies their concentrations as well as produces nitrogen-containing radicals such as CN, which participate in
surface chemistry in diamond nucleation and growth.

Key words: chemical vapor deposition, diamond films, gas phase chemistry, phase diagram

中图分类号:

TQ163

戚学贵,陈则韶,王冠中,廖源. C-H-O和C-H-N体系生长金刚石膜的气相化学模拟[J]. 无机材料学报.

QI Xue-Gui,CHEN Ze-Shao,WANG Guan-Zhong,LIAO Yuan. Simulation of Gas Phase Chemistry in C-H-O and C-H-N Systems for Chemical Vapor Deposition Diamond Films[J]. Journal of Inorganic Materials.

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