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Journal Article

Ultrathin oxides: Bulk-oxide-like model surfaces or unique films?

MPS-Authors
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Freysoldt,  Christoph
Theory, Fritz Haber Institute, Max Planck Society;

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Rinke,  Patrick
Theory, Fritz Haber Institute, Max Planck Society;

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Scheffler,  Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Fulltext (public)

PRL-99-086101-2007.pdf
(Any fulltext), 445KB

317968.pdf
(Preprint), 258KB

Supplementary Material (public)
There is no public supplementary material available
Citation

Freysoldt, C., Rinke, P., & Scheffler, M. (2007). Ultrathin oxides: Bulk-oxide-like model surfaces or unique films? Physical Review Letters, 99(8): 086101. doi:10.1103/PhysRevLett.99.086101.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0010-FFF7-F
Abstract
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.