Determination of Surface Structural Parameters by Iterative LEED Algorithm

Abstract

Conventional method of determination of structure from Low Energy Electron Diffraction (LEED) intensity pattern is to compute the diffraction patterns including multiple scattering for plausible guess structure and finding the actual structure from the best match. Large scattering cross section of low energy electrons and complexity of multiple scattering restrict (LEED) data interpretation for direct inversion of diffraction patterns. We here investigate the possibilities of direct computation of surface structure by reversing the process of layer doubling method of conventional LEED theory. Iterative computation based on linear approximation consistent with realistic constraints can be utilized to retrieve the surface parameters. Full knowledge of underlying bulk structure and chemical composition of surfaces are supplemented to retrieve the surface from experimental LEED patterns.