Low-Energy Electron Diffraction With Energy Invariant Carrier Wave Wavenumber Modulated by Exchange-Correlation Interaction

Abstract

We present low-energy electron diffraction (LEED) as elastic electron-atom scattering (EEAS) operating in a target crystal waveguide where a Coulombic carrier wave is wavelength modulated by exchange-correlation (XC) interaction. Carrier potential is designed using a KKR (Korringa-Kohn-Rostoker) muffin-tin model built on overlapping free atoms. XC potential is constructed using Sernelius's multiple-particle theory on electron self-energy. Dirac's differential equations are solved and EEAS phase shifts are calculated. Their qualifications are tested by recalculation of four recent LEED investigations. We are able to report substantially improved reliability factors.