Equilibrium Predictions of the Role of Organosilicon Compounds in the Chemical Vapor Deposition of Silicon Carbide

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Abstract
Equilibrium calculations are reported for a range of conditions used to deposit silicon carbide from Si—C—H mixtures such as those using , , and as reactants. Included are 37 molecules containing both silicon and carbon, allowing an assessment to be made of the importance of organosilicon species (and organosilicon radicals in particular) to the deposition process. The results indicate that and may contribute to epitaxial deposition and that formation of these and other organosilicon species is favored by low concentrations. In addition, simulations of gas‐phase equilibria expected under low‐pressure, low‐temperature conditions show that some organosilicon radicals that are kinetically favored are also thermodynamically favored. These include , , and , which could result from the reaction of with unsaturated reactants such as . The results suggest that combining an inert carrier gas with an excess of a surface‐reactive hydrocarbon such as could increase deposition rates without forming silicon‐rich deposits.

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