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Stable Cation Inversion at the MgAl2O4(100) Surface

Rasmussen, Morten K.; Foster, Adam S.; Hinnemann, Berit; Canova, Filippo F.; Helveg, Stig; Meinander, Kristoffer; Martin, Natalia LU ; Knudsen, Jan LU ; Vlad, Alina and Lundgren, Edvin LU , et al. (2011) In Physical Review Letters 107(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.
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publication status
published
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Physical Review Letters
volume
107
issue
3
publisher
American Physical Society
external identifiers
  • wos:000292690400005
  • scopus:79961052337
ISSN
1079-7114
DOI
10.1103/PhysRevLett.107.036102
language
English
LU publication?
yes
id
343f3a57-11fe-4164-9242-aaa25f897b9c (old id 2093878)
date added to LUP
2011-08-25 12:34:09
date last changed
2017-11-19 03:10:50
@article{343f3a57-11fe-4164-9242-aaa25f897b9c,
  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.},
  articleno    = {036102},
  author       = {Rasmussen, Morten K. and Foster, Adam S. and Hinnemann, Berit and Canova, Filippo F. and Helveg, Stig and Meinander, Kristoffer and Martin, Natalia and Knudsen, Jan and Vlad, Alina and Lundgren, Edvin and Stierle, Andreas and Besenbacher, Flemming and Lauritsen, Jeppe V.},
  issn         = {1079-7114},
  language     = {eng},
  number       = {3},
  publisher    = {American Physical Society},
  series       = {Physical Review Letters},
  title        = {Stable Cation Inversion at the MgAl2O4(100) Surface},
  url          = {http://dx.doi.org/10.1103/PhysRevLett.107.036102},
  volume       = {107},
  year         = {2011},
}