Analysis of atomic arrangement of Cu/Si(111) surface superstructure studied by total-reflection high-energy positron diffraction(TRHEPD) and data-driven science

Abstract

Various structure models for Cu/Si surface superstructure have been proposed. The exact structure, however, has not yet been determined. In this study, we have performed structure analysis of Cu/Si(111) using total-reflection high-energy positron diffraction (TRHEPD) combined with data-driven science. As a result it has been revealed that the surface forms a Cu₂Si superstructure with buckling. In the presentation, we describe the details of experiment, analysis, and the determined atomic arrangement.