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Journal Article

Oxygen-deficient line defects in an ultrathin aluminium oxide film

MPS-Authors
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Kulawik,  Maria
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Nilius,  Niklas
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Rust,  Hans-Peter
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Schmid, M., Shishkin, M., Kresse, G., Napetschnig, E., Varga, P., Kulawik, M., et al. (2006). Oxygen-deficient line defects in an ultrathin aluminium oxide film. Physical Review Letters, 97(4), 046101-1-046101-4. doi:10.1103/PhysRevLett.97.046101.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-03D0-A
Abstract
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.