Theory and simulation of high-energy ion scattering experiments for structure analysis of surfaces and interfaces

Monte Carlo computer calculations form an indispensable tool in the preparation and analysis of high-energy (50 keV-5 MeV) ion shadowing and blocking experiments. In this paper we discuss the theory of such calculations and describe a new algorithm, with which ion backscattering measurements from relaxed or reconstructed crystal surfaces, overlayer systems, interfaces, etc., can be accurately simulated. A comparison is made with other calculations, and some results are presented as illustration. © 1986.