Many-body effects in the screening of substitutional impurities in covalent crystals

Publisher Website
Google Scholar
Abstract
A many-body description for the screening of impurities, including both local-field and electron-hole effects, is applied to diamond (C) and silicon (Si). A priori studies demonstrate the following: (a) For C, both of these many-body effects introduce in the induced-charge-density profiles changes comparable to the zeroth-order diagonal screening result; (b) for Si, the nondiagonal screening is again comparable to the diagonal one with the dominance of the random-phase-approximation local-field effect; and (c) the screening pattern (being preferentially along the bonds in C) justifies empirical bond-charge models.