Structure of two-dimensional Fe₃O₄

Summary, in English

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.

• Author: Lindsay R. Merte; Pär A.T. Olsson; Mikhail Shipilin; Johan Gustafson; Florian Bertram; Chu Zhang; Henrik Grönbeck; Edvin Lundgren
• Department/s: Mechanics; Synchrotron Radiation Research; NanoLund: Centre for Nanoscience
• Publishing year: 2020-03-21
• Language: English
• Publication/Series: Journal of Chemical Physics
• Volume: 152
• Issue: 11
• Links: http://dx.doi.org/10.1063/1.5142558
• Document type: Journal article
• Publisher: American Institute of Physics (AIP)
• Topic: Physical Chemistry (including Surface- and Colloid Chemistry); Materials Chemistry; Nano-technology; Condensed Matter Physics (including Material Physics, Nano Physics)
• Status: Published
• ISBN/ISSN/Other: ISSN: 0021-9606