Abstract
The manner in which the electronic structure and chemical bonding of a perfect crystal change upon doping and vary with the charge state of a defect is analyzed. The obtained results serve as a basis for proposing a general pattern of reconstruction of metastable impurity centers, of both donor and acceptor types, in various semiconductors: “classical” III-V and II-VI semiconductor compounds, mostly ionic CdF2 crystal, and narrow-gap IV-VI compounds. Reasons are revealed for center reconstruction; general tendencies of the process and the specificity of their manifestation in some classes of crystals and types of impurity centers are established.
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