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The potential produced by isoelectronic impurities is investigated and shown to be critically dependent upon screening. Two methods of calculation of the screened potential are used in this paper, one based on a first-principles wave-function approach and the other using the semiempirical theory of energy bands in semiconductors. The relaxation of the host crystal is also taken into account and shown to be important. The results are in satisfactory agreement with experiment.
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Baldereschi et al. (1972) studied this question.
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