Oxygen-deficient line defects in an ultrathin aluminum oxide film.
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.
Schmid
M
M
Institut für Allgemeine Physik, Technische Universität Wien, A 1040 Wien, Austria.
Shishkin
M
M
Kresse
G
G
Napetschnig
E
E
Varga
P
P
Kulawik
M
M
Nilius
N
N
Rust
H-P
HP
Freund
H-J
HJ