Combining high-resolution core-level spectroscopy (HRCLS), scanning tunneling microscopy (STM) and density-functional theory (DFT) calculations we reanalyze the Pd(100)-(SQRT(5) x SQRT(5) R27^o)-O surface oxide phase. We find that the prevalent structural model, a rumpled PdO(001) film suggested by previous low energy electron diffraction (LEED) work (M. Saidy et al., Surf. Sci. 494, L799 (2001)), is incompatible with all three employed methods. Instead, we suggest the two-dimensional film to consist of a strained PdO(101) layer on top of Pd(100). LEED intensity calculations show that this model is compatible with the experimental data of Saidy et al.
@article{arxiv.cond-mat/0304107,
title = {The Pd(100)-(SQRT(5) x SQRT(5) R27^o)-O surface oxide revisited},
author = {M. Todorova and E. Lundgren and V. Blum and A. Mikkelsen and S. Gray and J. Gustafson and M. Borg and J. Rogal and K. Reuter and J. N. Andersen and M. Scheffler},
journal= {arXiv preprint arXiv:cond-mat/0304107},
year = {2016}
}
Comments
8 pages including 5 figures, Related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.html