The adsorption of 2.4 Langmuir oxygen on V(110) induces a c(6x2) reconstruction for a coverage of 0.5 ML. Its structure was determined using STM, quantitative LEED, and ab initio density functional calculations in combination with molecular dynamics. Driven by the strong vanadium--oxygen bonding, the vanadium atoms at the surface are significantly rearranged compared to the bulk positions. The reconstructed geometry offers three-fold and four-fold coordinated hollow sites, which are partially occupied by oxygen. The large set of structural data derived from LEED I-V analysis (RPe=0.11) and ab initio calculations, as well as the experimental and simulated STM images agree well. The structure of clean V(110) was also determined.
Corresponding author: P. Varga (varga).
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