CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1996, Vol. 13 ›› Issue (4): 439-444.

Previous Articles     Next Articles

KINETIC STUDIES ON THE GAS-PHAS ELEMENTARY REACTIONS IN CVD DIAMOND FILM ENVIREMENT

Dong Xialan1, Li Yanxin2, Sun Jiazhong1   

  1. 1. Institute of Theoretical Chemistry. Jilin University, Changchun, 130023, P. R. China;
    2. Institute of Atomic and Molecular Physics. Jilin University, Changchun, 130023, P. R. China
  • Received:1995-03-09 Revised:1996-07-28 Online:1996-12-25 Published:1996-12-25

Abstract: A gas-phase elementary-reaction mechanism of diamond growth by a vapor depostion process is proposed. The rate constants for-all reactions included in the model have been computed using the species and their transition-state parameters predicted by molecular orbital ab intio at HF/6-31G* level The calculated results quantitatively agree with experimental data on the concentration of gas-phase species and substrate temperature.

Key words: Diamond Film, Abstraction of H, MO ab initio, kinetics, main growth species, substrate temperature

CLC Number: