Calculation of the optical constants for the potassium halides from Korringa-Kohn-Rostoker energy bands

Abstract

KKR energy bands are used to calculate joint densities of states for KCl, KBr, and KI between conduction states and valence and core states by means of a simple interpolation scheme. The results are discussed and compared with experimental spectra in the vacuum ultraviolet and soft-x-ray regions. An overall agreement between theory and experiment is found which suggests that strong exciton effects are present in excitations from p-like valence bands, but not from d bands. © 1972 The American Physical Society.