Publications in Scientific Journals:

R. Koller, W. Bergermayer, G. Kresse, C. Konvicka, M. Schmid, J. Redinger, R. Podloucky, P. Varga:
"The structure of the oxygen-induced c(6x2) reconstruction of V(110)";
Surface Science, 512 (2002), 16 - 28.

English abstract:
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.

Electronic version of the publication:

Created from the Publication Database of the Vienna University of Technology.