An isolating algorithm for automated surface structure determination using RHEED

Abstract

An isolating algorithm is investigated for automated surface structure determination using reflection high energy electron diffraction (RHEED). This algorithm combines standard numerical minimization procedures with dynamical RHEED calculations, and treats different physical fitting parameters discriminatingly for different diffraction conditions. The procedure is illustrated using an ideal example of Ge(001)2 × 1 surface. It is shown that to a large extent the problem of non-uniqueness of the physical quantities obtained from the numerical procedure is largely avoided.