Relativistic augmented-plane-wave model potential calculation of the impurity electrical resistivity of Ag(Au)
Abstract
A model or pseudo potential is described which is based on the relativistic augmented-plane-wave (RAPW) method for the calculation of the band structure of a pure metal. For a pure metal, this model potential will yield the same band structure as that obtained in the usual RAPW calculation. This model potential is calculated for Au and for Ag, and a Au-impurity model potential for a dilute alloy of Au in Ag is obtained. The impurity electrical resistivity Δρc is calculated and is found to be in near agreement with experiment. Screening is treated in an approximate way and the role of screening in the calculated value of Δρc is discussed. Spinorbit coupling effects are found to contribute strongly to the model potential and to the calculated value of Δρc Spin-flip scattering and the Mössbauer isomer shift for Ag(Au) are discussed.
- Publication:
-
Physical Review B
- Pub Date:
- August 1976
- DOI:
- 10.1103/PhysRevB.14.1480
- Bibcode:
- 1976PhRvB..14.1480J