ISIS Neutron and Muon Source Data Journal

Elucidating octahedral tilt disorder in ternary NaNbO3 perovskite systems for high energy storage applications

Abstract: The ABO3 perovskite NaNbO3 is considered promising for uses in energy storage applications, however its irreversible electric field-induced transition renders it impractical for real devices. Nonetheless, studying structure-property relationships in NaNbO3-related materials, especially in the local structure, remains key to aid the design of future functional materials. We have recently devised a novel ternary perovskite system (0.9-x)NaNb1-yTayO3-0.1SrTiO3-xLa(Mg0.5Ti0.5)O3, showing high energy storage density and no irreversible field-induced transitions, making it ideal for power electronics applications. Structural analysis of our system using electron diffraction shows incommensurate superstructure peak streaking which we attribute to BO6 octahedral tilt disorder, as seen in other NaNbO3-related materials. To probe this tilt disorder and the link to its desirable properties for high energy storage devices, neutron total scattering experiments are imperative to perform. This proposal aims to use neutron total scattering to resolve the local structural influences of our ternary system as a function of increasing compositional complexity from NaNbO3 to 0.9NaNbO3-0.1SrTiO3 to (0.9-x)NaNbO3-0.1SrTiO3-xLa(Mg0.5Ti0.5)O3 to (0.9- x)NaNb1-yTayO3-0.1SrTiO3-xLa(Mg0.5Ti0.5)O3. Understanding the local structure effect that adding each component to our system has, especially in the context of octahedral tilt disorder, will allow for further optimisation of their exceptional properties

Principal Investigator: Dr Ben Tragheim
Experimenter: Dr Ian Reaney
Local Contact: Dr Gabriel Perez
Experimenter: Dr Lewis Owen
Experimenter: Professor Derek Sinclair
Experimenter: Dr Xuyao Tang

DOI: 10.5286/ISIS.E.RB2610199

ISIS Experiment Number: RB2610199

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:
Dr Ben Tragheim et al; (2026): Elucidating octahedral tilt disorder in ternary NaNbO3 perovskite systems for high energy storage applications, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610199

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