物理化学学报 >> 1997, Vol. 13 >> Issue (10): 904-907.doi: 10.3866/PKU.WHXB19971008

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金刚石(111)面上乙炔生长金刚石薄膜的机理

戴振文,刘波,潘守甫   

  1. 吉林大学原子与分子物理研究所，长春 130023
  • 收稿日期:1997-03-10 修回日期:1997-04-29 发布日期:1997-10-15
  • 通讯作者:

Growth Mechanisms of Diamond(111) Surface from Acetylene

Dai Zhen-Wen,Liu Bo,Pan Shou-Fu   

  1. Institute of Atomic and Molecular Physics,Jilin University,Changchun 130023
  • Received:1997-03-10 Revised:1997-04-29 Published:1997-10-15
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摘要：

运用量子力学半经验分子轨道AM1方法，计算乙炔作为生长基在金刚石（111）附氢表面上存在核结构时的外延生长过程. 结果表明，乙炔是金刚石（111）表面外延生长的有效生长基之一.

关键词: 金刚石薄膜, 乙炔, 生长机理, 势垒

Abstract:

The AM1 semi-empirical quantum mechanical method has been used to calculate the mechanisms for growth of diamond (111) hydrogenated surface by using acetylene molecule as growth species. The enthalpy of formation (ΔfH) of each step in the growth reaction pathway are obtained. The results show that acetylene can greatly contribute to the growth of diamond and that acetylene is an effective diamond growth species.

Key words: Diamond thin film, Acetylene, Growth emchanism, Potential barrier