Surface structure analysis based on the exclusive use of the specular LEED spot – a theoretical study

The exclusive use of the specularly reflected beam (the (0,0) spot) may be a more practical way of collecting data for a LEED I–V structure analysis under certain experimental conditions. In this paper we discuss the special properties of the (0,0) spot intensity and test its sensitivity towards structural changes for the model system CO/Ni(1 1 1) within the framework of a R factor analysis. It is found that the (0,0) spot can, indeed, be used for a reliable structure determination if the energy range is increased by collecting data at different polar and azimuthal angles of incidence. The R factor contrast is, however, reduced with respect to a conventional LEED I–V analysis.