ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Charge and magnetic ordering transitions in stoichiometric 6H-hexagonal perovskite BaFeO3
Abstract: The newly synthesized oxygen-deficiency-free 6H-type BaFeO3 with unusually high valence Fe4+ is found to show successive first-order structural transitions at approximately 230 and 160 K, in sharp contrast to the absence of structural changes in previously reported oxygen-deficient BaFeO3-?. The lowering of crystal symmetry at these structural phase transitions suggests sequential charge-ordering transitions. Magnetic order is also observed at 160 K. To reveal the nature of the phase transitions and the accompanying charge and magnetic ordered structures, we propose temperature-dependent neutron diffraction experiments at the WISH diffractometer. The high resolution of WISH is needed to precisely determine localised Fe3/4/5+ states in a large supercell from Fe-O distances, and high flux is needed for the small (300 mg) sample. The expected results will provide new insights into the correlation among charge, spin, and lattice degrees of freedom of the unusually high valence state in novel hexagonal-type perovskites.
Principal Investigator: Professor Paul Attfield
Experimenter: Mr Keita Nagasawa
Experimenter: Dr Zhenhong Tan
Experimenter: Dr Keita Kojima
Experimenter: Dr Nan Zhao
Experimenter: Ms Karolina Wojcik
Experimenter: Mr Shaoyuan Zhang
Experimenter: Dr Masato Goto
Experimenter: Dr Sean Injac
Experimenter: Dr Kunlang Ji
Local Contact: Dr Pascal Manuel
Experimenter: Dr Yuichi Shimakawa
Experimenter: Mr Rei Watanabe
DOI: 10.5286/ISIS.E.RB2520088
ISIS Experiment Number: RB2520088
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2520088-1 | WISH | 03 March 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Professor Paul Attfield et al; (2026): Charge and magnetic ordering transitions in stoichiometric 6H-hexagonal perovskite BaFeO3, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2520088
Data is released under the CC-BY-4.0 license.
