RETRIEVAL OF SURFACE STRUCTURAL PARAMETERS FROM MULTILAYER RELAXED SURFACES

Abstract

Trial search method of determination of structure from LEED I–V curves is to compute the same including multiple scattering for plausible guess structures and finding the actual structure from the best match. This requires enormous amount of computer time and for some cases even may turn unsuccessful. Using change of computational techniques and different search algorithms tremendous advancement have been made, but still it is possible to get struck in a local minima rather than global one. Therefore a method for determination of surface structure from LEED I–V curves, avoiding a search in the parameter space, is always considered important not only for reducing computational time enormously but also for avoiding the trapping in local minima. To this end, we have investigated the possibilities of retrieval of surface structural parameters by reversing the process of layer doubling method of conventional LEED theory.