ELECTRONIC STRUCTURE OF SOME COPPER AND SILVER ALLOYS WITH HETEROVALENT SOLUTES

It is shown for the α-phases of the Cu(Zn → As), Ag(Zn → As), Cu(Cd → Sb) and Ag(Cd → Sb) systems that a simple square well solute potential can be obtained semi-empirically which leads to quantitative agreement in terms of the existing free electron expressions of the partialwave analysis with the available experimental values of the residual resistivity (by definition), the solvent Knight shift and the solute characteristic thermopower. The electronic structure of the excess localized charge obtained from these potentials also leads directly to Linde's rule and to a qualitative interpretation of the room-temperature Hall coefficient in these systems. The solute potentials are applied to the model of Kohn and Luming in the calculation of the change in the total magnetic susceptibility of the solvent due to alloying, but the results show no improvement over those derived from a Thomas-Fermi potential. The susceptibility calculations involve the establishment of an expression for the radial charge density of excess charge localized around a square well potential. © 1968.