EXTENDED POTENTIAL MODEL OF TETRAVACANCY IN SILICON

In this paper, using the extended potential model, the symmetrized wavefuntion of the unpaired electron of tetravacancy (V4-) in silicon is calculated. We obtain the localization parameters η2, s-character fractions α2, p-character fractions β2 and hyper-fine constants of the unpaired electron on atoms nearest to the defect. V4- is determined for A1(C3v) symmetric state of the energy 0.78eV. Theoretical values are compatible with the existing experiments. Our results point out that η2 on single dangling bond of V4- is smaller than that of other defects with single dangling bond, this is because the potential distribution for V4- deviates from the single dangling bond case.