Stable Cation Inversion at the MgAl2O4(100) Surface
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2093878
- author
- organization
- publishing date
- 2011
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review Letters
- volume
- 107
- issue
- 3
- article number
- 036102
- publisher
- American Physical Society
- external identifiers
-
- wos:000292690400005
- scopus:79961052337
- pmid:21838378
- 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
- 2016-04-01 10:27:04
- date last changed
- 2022-04-04 18:13:47
@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.}}, 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}}, doi = {{10.1103/PhysRevLett.107.036102}}, volume = {{107}}, year = {{2011}}, }