Abstract
Semiempirical cluster calculations are reported on the interaction of interstitial oxygen complexes with hydrogen in germanium. It has been found that---unlike in silicon---the configuration in which the oxygen and one of its neighbors are threefold coordinated is not the saddle point in the diffusion of interstitial oxygen, but a metastable state which can be stabilized by a trapped hydrogen. The resulting structure is a single donor. It is also shown that dioxygen interstitial complexes form readily in germanium. The interaction of such complexes with hydrogen also produces single donors. These findings explain why oxygen acts as a donor in hydrogenated amorphous germanium (a-Ge:H) in contrast to a-Si:H.
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