Passivation of an Al acceptor in silicon by hydrogen or muonium

We report on calculations of the electric field gradient at the site of the Al nucleus in the Si-H-Al complex in silicon. As a model for the surroundings of the complex we used a cluster consisting of 43 silicon and one aluminum atoms. The geometry of this cluster was fully optimized at the Hartree-Fock level. To discuss the dependence of our results on the level of theory, we studied a subcluster of four silicon and one aluminum atoms at the Hartree-Fock and CASSCF level.     

A contribution to the ternary phase diagram Co-Sb-Te

The melting behaviour, some phase boundaries and the lattice parameters in the region of the NiAs-type phase in the ternary system cobalt-antimony-tellurium have been determined by differential thermal analysis and X-ray diffraction. A projection of the liquidus surface and the phase relationships in different sections with constant antimony/tellurium ratios are presented. The peculiar variation of the lattice parameters with the composition of the nonstoichiometric NiAs-type phase is discussed in terms of the defect structure.Dedicated to Prof. K. L. Komarek on the occasion of his 65th birthday