A LEED study of the Si{100}(1 × 1)H surface structure

Abstract Extensive LEED intensity-energy data have been collected for a Si{100}(1 × 1)H surface and dynamical theory LEED calculations have been performed using an ideal unreconstructed Si(100) surface to model this structure. Agreement between experiment and theory is good indicating that the probable structure for this surface does involve (weakly scattering) H atoms on the “dangling bonds” of an unreconstructed Si(100) surface, and that difficulties in achieving good agreement between experiment and theory for the clean Si{100}(2 × 1) surface is more probably due to deficiencies in the model structure than to deficiencies in the non-structural aspects of the LEED theory.