GEOMETRICAL CONFIGURATION OF INTERSTITIAL OXYGEN IN SILICON AND IN GERMANIUM

First principles calculations have been performed to establish the geo metrical configuration of interstitial oxygen in crystalline silicon a nd germanium. The calculations are performed in finite but representat ive clusters of atoms. The results of the calculations confirm early i ndications of the puckered character of both Si-O-Si and Ge-O-Ge bonds . The Si-O-Si bond angle is found to be 153-degrees whereas the calcul ated Ge-O-Ge bond angle is 132-degrees.