Structure of two-dimensional Fe3O4

Research output: Contribution to journalArticle

Abstract

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.

Details

Authors
Organisations
External organisations
  • Malmö University
  • Stockholm University
  • German Electron Synchrotron (DESY)
  • Chalmers University of Technology
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Physical Chemistry
  • Materials Chemistry
  • Nano Technology
Original languageEnglish
Article number114705
JournalJournal of Chemical Physics
Volume152
Issue number11
Publication statusPublished - 2020 Mar 21
Publication categoryResearch
Peer-reviewedYes