THEORETICAL-STUDY OF THE PD-B COMPLEX IN SILICON

We report the results for the electronic structure of the interstitial Pd-substitutional B complex in silicon. The self-consistent field calculations were performed within the framework of scattered-wave Xα cluster method. Compared with the electronic structures of the isolated substitutional B in silicon and of the isolated interstitial Pd in silicon, we found that the shallow acceptor B impurity state is deepened by the perturbation from the Pd atom. The ionic model, which is currently accepted to describe interstitial 3d transition metal-III A group shallow acceptor impurity pair, is not quite suitable to deal with the system of Pd-B complex in silicon.