Abstract
The electronic structure of nontransition and non-noble-metal-based alloys including charge and node effects are discussed within a pseudopotential scheme. An equivalent scattering equation for the pseudo-wave-function is obtained in terms of a nonlocal effective impurity potential. Orthogonality requirements with respect to the alloy core states are automatically fulfilled and the effective potential is shown to contain contributions from node and charge effects, whereas the scattering equation is free-electron-like. Finally the several contributions to the charge-density variations are discussed.
- Received 16 November 1970
DOI:https://doi.org/10.1103/PhysRevB.4.1161
©1971 American Physical Society