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          Institute: Fritz-Haber-Institut     Collection: Chemical Physics     Display Documents



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ID: 285872.0, Fritz-Haber-Institut / Chemical Physics
Oxygen-deficient line defects in an ultrathin aluminium oxide film
Authors:Schmid, Michael; Shishkin, Maxim; Kresse, Georg; Napetschnig, Evelyn; Varga, Peter; Kulawik, Maria; Nilius, Niklas; Rust, Hans-Peter; Freund, Hans-Joachim
Language:English
Date of Publication (YYYY-MM-DD):2006-07-28
Title of Journal:Physical Review Letters
Journal Abbrev.:Phys. Rev. Lett.
Volume:97
Issue / Number:4
Start Page:046101-1
End Page:046101-4
Copyright:© 2006 The American Physical Society
Review Status:Peer-review
Audience:Experts Only
Abstract / Description: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.
Free Keywords:scanning tunneling microscope; augmented-wave method; NiAl(110); layer
External Publication Status:published
Document Type:Article
Communicated by:Hans-Joachim Freund
Affiliations:Fritz-Haber-Institut/Chemical Physics/Scanning Probe Spectroscopy
Fritz-Haber-Institut/Chemical Physics/Atomic Force Microscopy
Fritz-Haber-Institut/Chemical Physics/Chemical Physics
External Affiliations:Schmid, M., Napetschnig, E., Varga, P., Inst. f. Allgemeine Physik, T.U. Wien, Wien, Austria; Shishkin, M., Kresse, G., Inst. f. Materialphysik und Centre for Computational Materials Science, Univ. Wien, Wien, Austria
Identifiers:URL:http://link.aps.org/abstract/PRL/v97/e046101 [Abstract]
URL:http://scitation.aip.org/getpdf/servlet/GetPDFServ... [PDF]
DOI:10.1103/PhysRevLett.97.046101
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