Complex ordering in a new polar A-site deficient perovskite

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.99688961
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/99688961
Provenance
Creator Mr Suguru Yoshida; Professor Koji Fujita; Dr Oliver Hernandez; Dr Alexandra Gibbs
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2018-12-06T08:00:00Z
Temporal Coverage End 2018-12-18T10:49:03Z