Calculations of the electronic properties of hydrogenated silicon

Abstract
We have used the coherent potential approximation to calculate the electronic densities of states for a model of hydrogenated amorphous silicon. The results demonstrate the restoration and widening of the band gap with increasing hydrogen content. In the valence band, excellent agreement with photoemission experiments is obtained. In the conduction band Si-H antibonding states are predicted that can be inferred from photoconductivity measurements.