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A model based on the electrostatic Hellmann-Feynman theorem and an empirical valence-force potential has been used to study breathing-mode distortions around the vacancy and substitutional Cu in silicon. The calculation of the forces driving the distortion is based on a self-consistent calculation of the charge-density perturbation. In both cases considered, the author finds an outward breathing-mode distortion of the lattice. By using a Cubic-harmonics expansion of the charge density, the structure of the forces can be examined. It is found that the outward breathing-mode distortion is caused mainly by the reduced charge anisotropy around the defect, which is a result of the defect-induced deficiency in the number of valence electrons. Distortion amplitudes and the spatial extension of the distortion fields are also calculated for the fully relaxed lattice.(38 refs

Symmetric lattice distortions around deep-level impurities in semiconductors: Vacancy and substitutional Cu in silicon