Multiple-scattering theory of low-energy electron diffraction for a nonspherical scattering potential.

Abstract

We present a multiple-scattering theory of low-energy electron diffraction (LEED) in which the scattering from nonspherical atomic potentials is expressed in terms of full scattering matrices ${t}_{\mathrm{LL}\mathcal{'}}$(k). These scattering matrices ${t}_{\mathrm{LL}\mathcal{'}}$(k) are evaluated through numerical integration and solving coupled equations. The method of Sams and Kourie is used. We also present formulas for the rotation and the temperature correction of ${t}_{\mathrm{LL}\mathcal{'}}$(k). The atomic scattering ${t}_{\mathrm{LL}\mathcal{'}}$(k) are then incorporated into standard multiple-scattering theories of LEED, and the method becomes suitable for calculating intensity-energy spectra of semiconductor surfaces and some open faces of metals.