Theoretical Study of the Pd-B Complex in Silicon
硅中Pd-B络合物性质的理论研究

in this paper we presents the results for the electronic structure of the interstitial Pd-substitu-tional B complex in silicon.The self-consistent-field calculations were performed within the fra-mework of scattered-wave Xa cluster method. Compared with the electronic structure of theisolated interstitial Pd and the isolated substitutional B in silicon,we concluded that for thecomplex Pd-B in silicon no pair level was formed.The ionic model,which is currentlyaccepted to describe interstitial 3d transition metal-IIIA group shallow acceptor impurity pairis not suitable to deal with the system of Pd-B complex in silicon.