Abstract
We have studied the size of common electron-excess defects using the Vinti sum rule that relates the mean-square radius of a defect's ground state to its optical absorption spectrum. Here we present the single-electron sum-rule theory and consider its many-electron extension. We show that numerous electron-excess defects in highly ionic systems, including F centers and substitutional s 2 impurity anions, are highly localized, primarily to a single lattice site. Similar defects in alkaline-earth oxides and sulfides are more diffuse, presumably because of greater covalent mixing between quantum states of the defect and the host.
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