LCAO ANALYSIS OF DISLOCATION-RELATED EPR-SPECTRA IN DEFORMED SILICON

A LCAO analysis of reconstruction defects, threefold coordinated vacancies (V3c) and their complexes in terms of one electron "defect molecules", leads to microscopic models for the dislocation related EPR-centers Si-K1, Si-K2 and Si-Y. It is proposed to identify Si-Y with V3c, Si-K1 with V3c trapped at a reconstruction defect and Si-K2 with multi-vacancy complexes (n*V3c). The results suggest that impurities are involved in the defect formation and that they are preferably formed in the core of those 30-degrees partial dislocations which are part of screws.