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Stable cation inversion at the MgAl2O4(100) surface.
Phys Rev Lett ; 107(3): 036102, 2011 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-21838378
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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Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: Phys Rev Lett Ano de publicação: 2011 Tipo de documento: Artigo País de afiliação: Dinamarca