ISIS Neutron and Muon Source Data Journal

Complex ordering in a new polar A-site deficient perovskite

Abstract: Recent theoretical work has identified that oxygen octahedral rotations (OORs) in layered perovskites such as Ruddlesden-Popper (RP) phases can generate noncentrosymmetry (piezoelectricity or ferroelectricity) by a hybrid improper mechanism. Our group has reported OOR-induced noncentrosymmetry in RP NaRTiO4 (R = rare earth) [Phys. Rev. Lett. 112, 187602 (2014)]. We now extend our understanding of OORs to A-site deficient perovskites, R1/3TaO3, that exhibit a layered ordering of the R cations and vacancies. Although the crystal structure was previously reported for R = La-Tm, no reliable crystallographic data are available for Y1/3TaO3. We here propose variable-temperature neutron powder diffraction experiments for Y1/3TaO3 to resolve unambiguously the OOR pattern in the room-temperature phase and also to identify the high-temperature incommensurate structure due to the OOR frustration.

Principal Investigator: Professor Koji Fujita
Experimenter: Mr Suguru Yoshida
Experimenter: Dr Oliver Hernandez
Experimenter: Dr Alexandra Gibbs

DOI: 10.5286/ISIS.E.RB1820148

ISIS Experiment Number: RB1820148

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 Koji Fujita et al; (2018): Complex ordering in a new polar A-site deficient perovskite, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820148

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