Method for calculating charge densities in impurities and disordered alloys
Abstract
Based on the linear response of the density of states to the scattering strength, an expression for the electrondensity function is derived for a system of muffintin potentials of arbitrary separation and composition. This expression readily leads to useful formulas for various systems including (i) a single potential, (ii) pure crystals, (iii) impurities in crystal environments, and (iv) disordered alloys using the averagetmatrix approximation and the coherentpotential approximation. The charge densities in this formalism can be computed on the same basis as the density of states, and thus allow a selfconsistent treatment of the potential problem in impurities and disordered alloys.
 Publication:

Physical Review B
 Pub Date:
 December 1978
 DOI:
 10.1103/PhysRevB.18.6450
 Bibcode:
 1978PhRvB..18.6450C