Answers are grounded in this paper and cite their sources.
We have developed a method for solving the Green's-function equations describing an isolated localized defect in an otherwise perfect crystal. It yields a charge density in sufficinet detail to allow recalculation of the potential and iteration to self-consistency. The method is applied to the ideal (unrelaxed) vacancy in silicon, in the ionic-pseudopotential, local-exchange-correlation approximation.
No takes yet. Share an insight, caveat, or question.
Baraff et al. (1978) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: