Theoretical study of X-ray photoelectron diffraction for fixed-in-space CO molecules

Abstract

Diffraction patterns of 1 s photoelectrons from fixed-in-space CO molecules have been calculated using full multiple-scattering formula in photoelectron kinetic energy region of ϵ k = 50 – 500 eV . The forward scattering intensities gradually increase as a function of ϵ k , whereas the backward scattering intensities oscillate. It has been shown that the backward oscillating structures in calculations taking into up to double scattering converge into those of full multiple-scattering calculations. The present analyses of the oscillating structures show the similarity and difference with those of EXAFS.