Ab InitioMolecular Orbital Study on Acceleration Mechanism of Silane Plasma Chemical Vapor Deposition by Diborane

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An acceleration mechanism of silane plasma chemical vapor deposition by diborane is proposed on the basis of an ab initio molecular orbital calculation. Hydrogen abstraction from the growing surface by BH 2 is calculated to be much more favorable than that by SiH 3 from both the kinetic and thermodynamic viewpoint. Thus, the abstraction by BH 2 is predicted to occur frequently, although the concentration of BH 2 is considerably lower than that of SiH 3 . This process creates a dangling bond on the growing surface and then the deposition rate is increased.