Stable Cation Inversion at the MgAl2O4(100) Surface

Morten K. Rasmussen; Adam S. Foster; Berit Hinnemann; Filippo F. Canova; Stig Helveg; Kristoffer Meinander; Natalia M. Martin; Jan Knudsen; Alina Vlad; Edvin Lundgren; Andreas Stierle; Flemming Besenbacher; Jeppe V. Lauritsen

doi:10.1103/PhysRevLett.107.036102

Stable Cation Inversion at the MgAl₂O₄(100) Surface

Morten K. Rasmussen, Adam S. Foster, Berit Hinnemann, Filippo F. Canova, Stig Helveg, Kristoffer Meinander, Natalia M. Martin, Jan Knudsen, Alina Vlad, Edvin Lundgren, Andreas Stierle, Flemming Besenbacher, Jeppe V. Lauritsen

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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.

Original language	English
Article number	036102
Pages (from-to)	1-4
Journal	Physical Review Letters
Volume	107
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevLett.107.036102
Publication status	Published - 2011
MoE publication type	A1 Journal article-refereed

Keywords

AFM
Oxides

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10.1103/PhysRevLett.107.036102

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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.",

keywords = "AFM, Oxides, AFM, Oxides, AFM, Oxides",

author = "Rasmussen, {Morten K.} and Foster, {Adam S.} and Berit Hinnemann and {F. Canova}, Filippo and Stig Helveg and Kristoffer Meinander and Martin, {Natalia M.} and Jan Knudsen and Alina Vlad and Edvin Lundgren and Andreas Stierle and Flemming Besenbacher and Lauritsen, {Jeppe V.}",

year = "2011",

doi = "10.1103/PhysRevLett.107.036102",

language = "English",

volume = "107",

pages = "1--4",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

number = "3",

}

Stable Cation Inversion at the MgAl₂O₄(100) Surface. / Rasmussen, Morten K.; Foster, Adam S.; Hinnemann, Berit; F. Canova, Filippo; Helveg, Stig; Meinander, Kristoffer; Martin, Natalia M.; Knudsen, Jan; Vlad, Alina; Lundgren, Edvin; Stierle, Andreas; Besenbacher, Flemming; Lauritsen, Jeppe V.

In: Physical Review Letters, Vol. 107, No. 3, 036102, 2011, p. 1-4.

Research output: Contribution to journal › Article › Scientific › peer-review

TY - JOUR

T1 - Stable Cation Inversion at the MgAl2O4(100) Surface

AU - Rasmussen, Morten K.

AU - Foster, Adam S.

AU - Hinnemann, Berit

AU - F. Canova, Filippo

AU - Helveg, Stig

AU - Meinander, Kristoffer

AU - Martin, Natalia M.

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.

KW - AFM

KW - Oxides

KW - AFM

KW - Oxides

KW - AFM

KW - Oxides

UR - http://link.aps.org/doi/10.1103/PhysRevLett.107.036102

U2 - 10.1103/PhysRevLett.107.036102

DO - 10.1103/PhysRevLett.107.036102

M3 - Article

VL - 107

SP - 1

EP - 4

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 3

M1 - 036102

ER -

Stable Cation Inversion at the MgAl₂O₄(100) Surface

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Keywords

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