Oxygen chemisorption on Cu(110): A structural determination by x-ray diffraction

Abstract

A structural determination of the Cu(110)2×1-O surface has been performed by x-ray diffraction. Because of the simplicity of the structure, all structure factors are real and positive, and so a Fourier transform of the structure-factor intensities provides the electron-density map directly. The surface has a first layer of copper with half the (001) rows missing and oxygen atoms located in a long-bridge position 0.34±0.17 Å below the surface. The missing-row layer is displaced outwards by 0.37±0.05 Å relative to an ideally terminated crystal. The second copper layer has a small lateral displacement of 0.031±0.005 Å towards the missing rows.