Identifying Band Structure Changes of FePS3 across the Antiferromagnetic Phase Transition

Benjamin Pestka, Jeff Strasdas, Gustav Bihlmayer, Adam Krzysztof Budniak, Marcus Liebmann, Niklas Leuth, Honey Boban, Vitaliy Feyer, Iulia Cojocariu, Daniel Baranowski, Simone Mearini, Yaron Amouyal, Lutz Waldecker, Bernd Beschoten, Christoph Stampfer, Lukasz Plucinski, Efrat Lifshitz, Peter Kratzer, Markus Morgenstern

Research output: Contribution to journalArticlepeer-review

Abstract

Magnetic 2D materials enable interesting tuning options of magnetism. As an example, the van der Waals material FePS3, a zig-zag-type intralayer antiferromagnet, exhibits very strong magnetoelastic coupling due to the different bond lengths along different ferromagnetic and antiferromagnetic coupling directions enabling elastic tuning of magnetic properties. The likely cause of the length change is the intricate competition between direct exchange of the Fe atoms and superexchange via the S and P atoms. To elucidate this interplay, we study the band structure of exfoliated FePS3 by μm scale ARPES (angular resolved photoelectron spectroscopy), both, above and below the Néel temperature TN. We found three characteristic changes across TN. They involve S 3p-type bands, Fe 3d-type bands and P 3p-type bands, respectively, as attributed by comparison with density functional theory calculations (DFT + U). This highlights the involvement of all the atoms in the magnetic phase transition providing independent evidence for the intricate exchange paths.

Original languageEnglish
Pages (from-to)32924-32931
Number of pages8
JournalACS Nano
Volume18
Issue number47
DOIs
StatePublished - 26 Nov 2024

Keywords

  • angular resolved photoelectron spectroscopy
  • density functional theory
  • layered magnetism
  • magnetic 2D materials
  • transition metal phosphorus trisulfides.

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • General Engineering
  • General Physics and Astronomy

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