Stable cation inversion at the MgAl2O4(100) surface |
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Authors: | 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 |
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Institution: | Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Aarhus, Denmark. |
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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. |
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