THE ELECTRONIC STRUCTURE OF A MODEL DEFECT IN HYDROGENATED AMORPHOUS SILICON

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Abstract
We calculate the electronic properties of a model defect for hydrogen in hydrogenated amorphous Si. Our model is a vacancy in crystal Si with four H's satisfying the dangling bonds. Using a Green's function technique, we find the change in the density of states caused by the defect, as well as the local density of states for the Si-H bond and surrounding bonds. From several approaches, we extract information on band edge localization. Each approach gives a mobility edge of order tenths of an eV, therefore we conclude that compositional disorder has an effect comparable to that previously estimated for topological disorder. Conduction band effects are calculated to be similar but smaller

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