Structure of two-dimensional Fe3O4
Artikel i vetenskaplig tidskrift, 2020

We have investigated the structure of an ultrathin iron oxide phase grown on Ag(100) using surface x-ray diffraction in combination with Hubbard-corrected density functional theory (DFT+U) calculations. The film exhibits a novel structure composed of one close-packed layer of octahedrally coordinated Fe2+ sandwiched between two close-packed layers of tetrahedrally coordinated Fe3+ and an overall stoichiometry of Fe3O4. As the structure is distinct from bulk iron oxide phases and the coupling with the silver substrate is weak, we propose that the phase should be classified as a metastable two-dimensional oxide. The chemical and physical properties are potentially interesting, thanks to the predicted charge ordering between atomic layers, and analogy with bulk ferrite spinels suggests the possibility of synthesis of a whole class of two-dimensional ternary oxides with varying electronic, optical, and chemical properties.


L. R. Merte

Malmö universitet

Pär A.T. Olsson

Malmö universitet

Lunds universitet

M. Shipilin

Stockholms universitet

Johan Gustafson

Lunds universitet

F. Bertram

Deutsches Elektronen-Synchrotron (DESY)

Chu Zhang

Lunds universitet

Henrik Grönbeck

Chalmers, Fysik, Kemisk fysik

Edvin Lundgren

Lunds universitet

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 152 11 114705- 114705


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