ISIS Neutron and Muon Source Data Journal

Tuning Orbital Order in Fluoride Perovskite KFeF3 via high pressure

Abstract: Oxide-based perovskites have received significant interest through extensive structural and theoretical studies, however the adjacent playground of the fluoride analogues, ABF3 have comparatively attracted far less attention. While previous high resolution PXRD analysis has elucidated orbital order in some of the fluoride perovskites such as NaCrF3, KCrF3, NaCuF3 and KCuF3 exhibiting eg active JT distortions at room temperature, there has been little work exploring cooperative JT distortions associated t2g degeneracies in these systems. Here we propose a high-pressure neutron diffraction experiment on PEARL to probe the interplay between octahedral tilting and orbital ordering in KFeF3, and overlooked member of the ABF3 family that has such a t2g degeneracy. These experiments will shed fundamental insight on the interplay between orbital and tilt degrees of freedom in the fluoride perovskites, helping unlock their potential for use in functional materials in emerging technologies such as battery cathodes and memristive devices.

Principal Investigator: Dr Mark Senn
Local Contact: Dr Nicholas Funnell
Experimenter: Professor Richard Walton
Experimenter: Dr Catriona Crawford
Experimenter: Dr Craig Hiley
Experimenter: Miss Elizabeth Arnold

DOI: 10.5286/ISIS.E.RB2420152

ISIS Experiment Number: RB2420152

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Mark Senn et al; (2024): Tuning Orbital Order in Fluoride Perovskite KFeF3 via high pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420152

Data is released under the CC-BY-4.0 license.