Stable Cation Inversion at the MgAl2O4(100) Surface
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© 2011 American Physical Society (APS). This is the accepted version of the following article: Rasmussen, Morten K. & Foster, Adam S. & Hinnemann, Berit & Canova, Filippo F. & Helveg, Stig & Meinander, Kristoffer & Martin, Natalia M. & Knudsen, Jan & Vlad, Alina & Lundgren, Edvin & Stierle, Andreas & Besenbacher, Flemming & Lauritsen, Jeppe V.. 2011. Stable Cation Inversion at the MgAl2O4(100) Surface. Physical Review Letters. Volume 107, Issue 3. 036102/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.107.036102 which has been published in final form at http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.107.036102
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School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2011
Major/Subject
Mcode
Degree programme
Language
en
Pages
036102/1-4
Series
Physical Review Letters, Volume 107, Issue 3
Abstract
From an interplay of atom-resolved noncontact atomic force microscopy, surface x-ray diffraction experiments, and density functional theory calculations, we reveal the detailed atomic-scale structure of the (100) surface of an insulating ternary metal oxide, MgAl2O4 (spinel). We surprisingly find that the MgAl2O4(100) surface is terminated by an Al and O-rich structure with a thermodynamically favored amount of Al atoms interchanged with Mg. This finding implies that so-called Mg-Al antisites, which are defects in the bulk of MgAl2O4, become a thermodynamically stable and integral part of the surface.Description
Keywords
AFM, oxides, metal oxide spinels, MgAl2O4 spinel, surface structure, thermodynamic properties
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Citation
Rasmussen, Morten K. & Foster, Adam S. & Hinnemann, Berit & Canova, Filippo F. & Helveg, Stig & Meinander, Kristoffer & Martin, Natalia M. & Knudsen, Jan & Vlad, Alina & Lundgren, Edvin & Stierle, Andreas & Besenbacher, Flemming & Lauritsen, Jeppe V.. 2011. Stable Cation Inversion at the MgAl2O4(100) Surface. Physical Review Letters. Volume 107, Issue 3. 036102/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.107.036102.
