TY - JOUR
T1 - Stable Cation Inversion at the MgAl2O4(100) Surface
AU - Rasmussen, Morten K.
AU - Foster, Adam S.
AU - Hinnemann, Berit
AU - Canova, Filippo F.
AU - Helveg, Stig
AU - Meinander, Kristoffer
AU - Martin, Natalia
AU - Knudsen, Jan
AU - Vlad, Alina
AU - Lundgren, Edvin
AU - Stierle, Andreas
AU - Besenbacher, Flemming
AU - Lauritsen, Jeppe V.
PY - 2011
Y1 - 2011
N2 - 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.
AB - 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.
U2 - 10.1103/PhysRevLett.107.036102
DO - 10.1103/PhysRevLett.107.036102
M3 - Article
C2 - 21838378
SN - 1079-7114
VL - 107
JO - Physical Review Letters
JF - Physical Review Letters
IS - 3
M1 - 036102
ER -