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