The structure of the oxygen induced (1x5) reconstruction of V(100)

R. Koller1, W. Bergermayer2, G. Kresse3, E.L.D. Hebenstreit1, C. Konvicka1, M. Schmid1, R. Podloucky2 and P. Varga1

1Institut für Allgemeine Physik, Technische Universität Wien, A-1040 Wien, Austria
2Institut für Physikalische Chemie, Universität Wien, A-1090 Wien, Austria
3Institut für Materialphysik, Universität Wien, A-1090 Wien, Austria

Surf. Sci. 480 (2001) 11-24

The adsorption of 1 Langmuir oxygen on the V(100) surface at 200 °C leads to a (1x5) reconstruction. The structure of this surface was determined by scanning tunneling microscopy (STM), low energy electron diffraction (quantitative LEED) and density functional theory calculations. The STM images show dark lines every fifth vanadium lattice constant. Between these (1x5) lines, oxygen resides in four-fold coordinated hollow sites with a coverage of ~70%. From the LEED analysis (Pendry R-factor = 0.17) it was found that in the dark lines oxygen adsorbs in bridge sites, in agreement with the ab initio calculations. The driving force behind this reconstruction is surface stress induced by the vanadium-oxygen bonds.

Corresponding author: P. Varga (varga< encoded email address >).

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