Abstract
Residual resistivities for interstitial H in the face-centred cubic metals Cu, Ag, Ni, Pd and Al as well as in the body-centred cubic metals V, Nb and Ta are calculated using the Korringa-Kohn-Rostoker Green function description of Bloch electron scattering by impurity clusters. Heavier interstitials like B and C in Pd and C and O in Nb are also investigated. Inclusion of environmental effects, especially local lattice deformation of the first shell of surrounding atoms, turned out to be of crucial importance in order to obtain agreement with experimental residual resistivities. The firmly established absence of a H/D isotope effect in Pd, V. Nb and Ta can be explained. Measured residual resistivities due to substitutional impurities in Cu, Ag, Pd. Al and Nb are reproduced with varying success, depending on the complexity of the electronic structure of the defect potential. A first shell of surrounding metal atoms improves the calculated results, while lattice distortion is not as important as it is for the interstitial alloys.
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