ISIS Neutron and Muon Source Data Journal

Tilting transition and dimensionality crossover of anion chain order in Ba1-xSrxTaO2N

Abstract: Transition metal oxynitride perovskites are an emerging class of functional materials. However, their oxide/nitride ordering principles were unclear until a recent study of the representative compounds SrMO2N (M = Nb, Ta) by neutron and electron diffraction revealed a robust partial anion order where disordered zig-zag MN chains lie within two-dimensional (2D) planes. However BaTaO2N contains the same cis-chains propagating in three dimensions (3D). The discovery of 2D anion chains in SrTaO2N but 3D chains for BaTaO2N raises the question of how the ordering dimensionality changes in intermediate Ba1-xSrxTaO2N perovskites. We propose to collect HRPD data from 4 Ba1-xSrxTaO2N samples to explore this. We will also explore how the tilting transition to I4/mcm (3D anion order) or Fmmm (2D) changes as it is suppressed from 450 K for x = 1 to zero temperature for small x.

Principal Investigator: Professor Paul Attfield
Local Contact: Dr Kevin Knight
Experimenter: Professor Amparo Fuertes
Local Contact: Dr Kevin Knight
Experimenter: Miss Hannah Johnston
Experimenter: Professor David Keen
Experimenter: Mr Ashley Black

DOI: 10.5286/ISIS.E.RB1520026

ISIS Experiment Number: RB1520026

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; (2015): Tilting transition and dimensionality crossover of anion chain order in Ba1-xSrxTaO2N, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1520026

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