Quantum chemical study on p-doping effect of silicon surface reaction with silane

Abstract

Various CVD reactive sites on the surface of silicon have been studied by using quantum chemical method. The reactive site specific to p-doped silicon is represented by an electron deficient silicon type model. Hydrogen-terminated silicon model and dangling bond models have also been examined. We have found that the p-doped silicon reactive site has large reactivity against silane. Moreover, the reactive site is reproduced consecutively. This accounts well for the experimental observation of very low activation energy for the decomposition of silane on the p-doped silicon surface.