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          Institute: Fritz-Haber-Institut     Collection: Theory     Display Documents



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ID: 317968.0, Fritz-Haber-Institut / Theory
Ultrathin oxides: Bulk-oxide-like model surfaces or unique films?
Authors:Freysoldt, Christoph; Rinke, Patrick; Scheffler, Matthias
Language:English
Date of Publication (YYYY-MM-DD):2007-08-21
Title of Journal:Physical Review Letters
Journal Abbrev.:Phys. Rev. Lett.
Volume:99
Issue / Number:8
Start Page:086101-1
End Page:086101-4
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:To better understand the electronic and chemical properties of wide-gap oxide surfaces at the atomic scale, experimental work has focused on epitaxial films on metal substrates. Recent findings show that these films are considerably thinner than previously thought. This raises doubts about the transferability of the results to surface properties of thicker films and bulk crystals. By means of density-functional theory and approximate GW corrections for the electronic spectra we demonstrate for three characteristic widegap oxides (silica, alumina, and hafnia) the influence of the substrate and highlight critical differences between the ultrathin films and surfaces of bulk materials. Our results imply that monolayer-thin oxide films have rather unique properties.
External Publication Status:published
Document Type:Article
Communicated by:Matthias Scheffler
Affiliations:Fritz-Haber-Institut/Theory
Identifiers:URL:http://dx.doi.org/10.1103/PhysRevLett.99.086101 [Open Access]
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317968.pdf  [257,00 Kb] [Comment:arXiv:0707.2031v1 [cond-mat.mtrl-sci]]  
 
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