A model for the straight antiphase domain boundary of the ultrathin aluminum oxide film on the NiAl(110) substrate is derived from scanning tunneling microscopy measurements and density-functional theory calculations. Although the local bonding environment of the perfect film is maintained, the structure is oxygen deficient and possesses a favorable adsorption site. The domain boundary exhibits a downwards band bending and three characteristic unoccupied electronic states, in excellent agreement with scanning tunneling spectroscopy measurements.
Natalia M. Martin, Jan Knudsen, Sara Blomberg, Johan Gustafson, J. N. Andersen, Edvin Lundgren, Hanna Härelind Ingelsten, Per‐Anders Carlsson, Magnus Skoglundh, Andreas Stierle, Kresse Georg
Rasmus Westerström, C. J. Weststrate, Johan Gustafson, Anders Mikkelsen, Joachim Schnadt, J. N. Andersen, Edvin Lundgren, Nicola Seriani, Florian Mittendorfer, Kresse Georg, Andreas Stierle
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