Binding energies of substitutional and interstitial donors in Si: Many-electron effects

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Abstract
It is shown that the inclusion of both electron-hole correlations and local-field effects in the intervalley matrix elements for point-charge impurities is indispensable for the binding energies: For a substitutional donor these many-electron effects reduce the binding energy by as much as 35%, thus significantly strengthening the shallow character and introducing very good agreement with experiment (example Si: P). Combination of our quantitative calculations with recent muon-decay experiments allows for a prediction of the interstitial muonium site in Si.