Green Function by KKR Method

Abstract

The KKR formalism is developed to calculate the Green function of the muffintin system, which gives more general way to calculate the electronic structures of imperfect crystals. For the impurity state, the formulae are given to calculate the local density-of-states, the scattering matrix and the phase shift of the impurity on the basis of the energy band calculation by KKR or APW method. For the disordered state it is shown that any approximation developed in the Koster-Slater formalism, the CPA for example, may be easily translated into the corresponding one in the KKR formalism.