Theory Department
Max Planck Institute of Microstructure Physics
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Sander, D., Meyerheim, H. L., Tian, Z., Niebergall, L., Negulyaev, N. N., Mohseni, K., Stepanyuk, V. S., Felici, R., Kirschner, J.

Sequential population of adsorption sites driven by surface stress
Physical Review B 81, (15),pp 153403/1-4 (2010)
We performed a combined experimental and theoretical study of surface stress and structure of the adsorption of oxygen on Ir(001). We find that up to an oxygen coverage of half a monolayer oxygen adsorbs in bridge sites, whereas at larger coverage between 0.5 and 0.75 adsorption occurs in both bridge and hollow sites. A compressive surface stress change of -2.2 N/m is measured, and substantial lattice relaxations are identified by surface x-ray diffraction. Density-functional theory calculations reveal that anisotropic O-induced surface stress is a key factor for the sequential occupation of the adsorption sites.

TH-2010-18