Theoretical Aspects of the Optical Response of Semiconductor Surfaces

Abstract

We discuss the progress in realistic calculations of the optical response of semiconductor surfaces. It concerns numerical developments as well as the better inclusion of many-body effects. We show that the starting point of such calculations, the atomic structure and the surface equilibrium phase, can be now derived with high accuracy. The different steps are described in detail for the computation of the reflectance anisotropy and the exploration of the In-rich InP(001)2×4 surfaces.