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Calculates the energy of formation of alkali metal ion interstitials in zinc selenide by extending the use of defect modelling programs based on shell models. The results support suggestions that Li + and Na + are important defects in ZnSe and that it is the presence of these defects that cause the problems encountered in trying to make p-type zinc selenide. The calculations also allow an estimate of the defect migration energies, which suggest that these interstitials should be fairly mobile.
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John H. Harding (1981) studied this question.
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