Abstract
We have studied the ultrathin aluminum oxide film on NiAl(110) by a combination of high-resolution core-level spectroscopy and density functional theory calculations. Energy-dependent core-level data from the O 1$s$ and Al 2$p$ levels allows for a distinction between oxygen and aluminum atoms residing at the surface or inside the aluminum oxide film. A comparison to calculated core-level binding energies from the recent model by Kresse et al. [Science 308, 1440 (2005)] reveals good agreement with experiment, and the complex spectroscopic signature of the thin Al oxide on NiAl(110) can be explained. Our assignment of a shifted component in the O $1s$ spectra to oxygen atoms at the surface with a particular Al and oxygen coordination may have implications for the interpretation of photoelectron-diffraction experiments from similar ultrathin aluminum oxide films.
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