Further LEED investigations of missing row models for the [formula omitted] surface structure

Abstract

Multiple scattering calculations have been made for a series of models for the O on Cu(100) chemisorption system in which there are missing atoms in the topmost metal layer, as well as additional missing row models to those considered previously. The best correspondence between experimental and calculated LEED intensities yet reached for the (2 2 × 2 )R45° surface structure is obtained by extending the recently proposed missing row model [Surf. Sci. 208 (1989) L7] to include a 0.30 Å lateral relaxation for top layer copper atoms adjacent to the missing rows, and small (around 0.10 Å) vertical relaxations in both the first and second copper layers.