Invariant-embedding<i>R</i>-matrix scheme for reflection high-energy electron diffraction

Abstract

We present a dynamical theory based on the invariant-embedding R-matrix scheme for calculating reflection high-energy electron-diffraction rocking curves. The method is shown to be accurate and numerically stable. Using Ag(001) and Pt(111) surfaces as examples, we demonstrate the importance of reaching proper numerical convergence in the rocking-curve calculations. The effect of different models for the imaginary potential on rocking curves is presented.