文献类型：期刊文献

英文题名：Construction and analysis of C-H-N phase diagram for diamond chemical vapor deposition by simulation of gas-phase chemistry

作者：Qi, Xue-Gui[1,2]; Chen, Ze-Shao[2]; Xu, Hong[1]

机构：[1]E China Univ Sci & Technol, Sch Mech Engn, Inst Proc Engn & Pressure Vessels, Shanghai 200237, Peoples R China;[2]Univ Sci & Technol China, Sch Engn Sci, Hefei 230027, Peoples R China

年份：2006

卷号：200

期号：18-19

起止页码：5268

外文期刊名：SURFACE & COATINGS TECHNOLOGY

收录：;EI(收录号：2006139782019);WOS:【SCI-EXPANDED(收录号:WOS:000236648800012)】；

语种：英文

外文关键词：diamond; chemical vapor deposition (CVD); nitrogen; simulation; phase diagram

摘要：According to roles of atomic hydrogen, methyl and acetylene in diamond film chemical vapor deposition (CVD) in C-H and C-H-O systems, two micro parameters and their criteria were established, viz., methyl mole fraction [CH3] and ratio of atomic hydrogen mole fraction to acetylene [H]/[C2H2], corresponding to the growth of diamond and etching of non-diamond carbon, respectively. By simulating gas-phase chemistry in C-H-N environment, equilibrium compositions for various nitrogenous mixtures were obtained. A C-H-N ternary phase diagram for diamond chemical vapor deposition under low pressure was constructed and influence of activation temperature on diamond domain was calculated. They were proved basically logical by over eighty experimental points in literatures, confirming the dominant roles of H, CH3 and C2H2. It is indicated that atomic hydrogen is not replaced by atomic nitrogen in preferably etching non-diamond carbon and generating surface growth sites. Further calculation and discussion reveals that nitrogen addition not only influences the concentrations of atomic hydrogen, methyl and acetylene, but also produces CN radicals, which actively participate in surface reactions, resulting in strong dependence of deposition rate and quality on nitrogen addition amount. (c) 2005 Published by Elsevier B.V.