Publications in Scientific Journals:

L. Köhler, G. Kresse, M. Schmid, E. Lundgren, J. Gustafson, A. Mikkelsen, M. Borg, J. Yuhara, J.N. Andersen, M. Marsman, P. Varga:
"High-coverage oxygen structures on Rh(111) - adsorbate repulsion and site preference is not enough";
Physical Review Letters, 93 (2004), 266103-1 - 266103-4.

English abstract:
An O induced structure on Rh(111) displaying a (2 sqrt(3) x 2 sqrt(3))R30 periodicity with an oxygen coverage of 0.67 has been studied by high resolution core level
spectroscopy, scanning tunneling microscopy and density functional theory. Although O favors fcc hollow sites in all other known phases, it occupies both fcc and hcp
sites in this structure, which can not be explained by pairwise adsorbate repulsion only. For both the (2 sqrt(3) x 2 sqrt(3))R30 and the (2x2)-3O structure, our study
also shows that a simple density-of-states contrast can lead to oxygen adatoms appearing as protrusions in STM images.

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