Theory for the binding energies of the first-row, deep donors in GaP and Si

Abstract

Substitutional oxygen in GaP is known to be a very deep, non-effective-mass-like donor, capable of binding one or two electrons. No conclusive experiment exists for substitutional N in Si. In this paper, the recently developed Pseudo Impurity Theory is applied to these cases. Without employing any adjustable parameters, the two levels of GaP:O P are predicted in good agreement with experiment. Si:N is predicted to behave in a similar way. The implications of these results are discussed.