Structure determination of indium-induced Si(111)-In-4x1 surface by LEED Patterson inversion

Abstract

A low-energy electron diffraction (LEED) Patterson function (PF) with multiple incident angles is used to determine the structure of the indium-induced Si(111)-4x1-In reconstructed surface. The experimental PF maps were compared with ones calculated by both single scattering and the tensor-LEED method according to various theoretical models so that one can pick out the right one. It was found that the model proposed by Bunk is the best appropriate one, from which the induced PF maps are similar to the experimental ones. Further analysis of the PF spots obtained from the experimental PF maps directly generates the same model without any presupposition. It indicates that the multiple-incidence Patterson function is an effective method to determine the surface structure. Moreover, detailed atomic positions on surface were deduced from first-principles calculations and tensor-LEED I-V curve simulations. We also compared the results with those of previous investigations. Good agreement was found between them. © 2005 The American Physical Society.