title: Stable cation inversion at the MgAl2O4(100) surface.
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.
authors.affiliation: Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Aarhus, Denmark.
authors.forename: Morten K
authors.initials: MK
authors.lastname: Rasmussen
authors.forename: Adam S
authors.initials: AS
authors.lastname: Foster
authors.forename: Berit
authors.initials: B
authors.lastname: Hinnemann
authors.forename: Filippo F
authors.initials: FF
authors.lastname: Canova
authors.forename: Stig
authors.initials: S
authors.lastname: Helveg
authors.forename: Kristoffer
authors.initials: K
authors.lastname: Meinander
authors.forename: Natalia M
authors.initials: NM
authors.lastname: Martin
authors.forename: Jan
authors.initials: J
authors.lastname: Knudsen
authors.forename: Alina
authors.initials: A
authors.lastname: Vlad
authors.forename: Edvin
authors.initials: E
authors.lastname: Lundgren
authors.forename: Andreas
authors.initials: A
authors.lastname: Stierle
authors.forename: Flemming
authors.initials: F
authors.lastname: Besenbacher
authors.forename: Jeppe V
authors.initials: JV
authors.lastname: Lauritsen