A LEED crystallographic investigation of some missing row models for the Cu(100)-(2√2 × √2) R45°- O surface structure

Abstract

A multiple-scattering analysis of LEED intensities has been made for the Cu(100)-(2√2 × √2) R45°- O surface structure. Following indications from a recent study for the c(2 × 2) surface [H.C. Zeng, R.A. McFarlane, R.N.S. Sodhi and K.A.R. Mitchell, Can. J. Chem. 66 (1988), in press], the present work emphasizes models in which there are missing rows of copper atoms in the surface layer parallel to the [010] direction. An overall satisfactory level of correspondence between experimental and calculated I(E) curves is reached, for six beams at normal incidence, when O adsorbs at 0.5 ML coverage in regular hollow sites adjacent to the missing rows at close to 0.15 Å above the topmost copper layer. Each O atom bonds to four neighbouring Cu atoms with an average O-Cu bond length of 1.91 Å.