ANDERSON MODEL FOR HUME-ROTHERY ALLOYS CONTAINING TRANSITION-METALS

An Anderson model for d impurities in Hume-Rothery alloys combining the effect of pseudopotential for conduction states and the effect of the s-d hybridization is studied. A strong deviation from the classical virtual bound state is observed for the electronic structure of transition metal (TM) atoms. Furthermore, we find that the hybridization sp-d tends to increase the pseudogap at the Fermi level. Systematic ab initio LMTO studies of the electronic structure of Al-TM alloys were carried out and discussed in terms of this model.