Chemisorption Bond Length and Binding Location of Oxygen in ap(2×1)Overlayer on W(110) Using a Convergent, Perturbative, Low-Energy-Electron-Diffraction Calculation

A convergent perturbation scheme known as the layer-doubling method is used to determine the chemisorption position and bond length of an oxygen $p(2\mathrm{}\times 1)$ overlayer on W(110) surface. The use of perturbation treatment allows accurate and economical determination of surface crystallography on this strong-scattering material. Using eight phase shifts and 89 beams in the calculation, the oxygen atoms are found to occupy threefold-coordinated binding sites with a bond length of 2.08 Å.