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We have used the locally self-consistent Green's function (LSGF) method insupercell calculations to establish the distribution of the net chargesassigned to the atomic spheres of the alloy components in metallic alloys withdifferent compositions and degrees of order. This allows us to determine theMadelung potential energy of a random alloy in the single-site mean fieldapproximation which makes the conventional single-site density-functional-theory coherent potential approximation (SS-DFT-CPA) method practicallyidentical to the supercell LSGF method with a single-site local interactionzone that yields an exact solution of the DFT problem. We demonstrate that thebasic mechanism which governs the charge distribution is the screening of thenet charges of the alloy components that makes the direct Coulomb interactionsshort-ranged. In the atomic sphere approximation, this screening appears to bealmost independent of the alloy composition, lattice spacing, and crystalstructure. A formalism which allows a consistent treatment of the screenedCoulomb interactions within the single-site mean-filed approximation isoutlined. We also derive the contribution of the screened Coulomb interactionsto the S2 formalism and the generalized perturbation method.Comment: 28 pages, 8 figure

Screened Coulomb interactions in metallic alloys. I. Universal screening in the atomic-sphere approximation