A pair distribution function study to determine the local structure of the titanium atom in BaTiO3 as a function of temperature

DOI

BaTiO3 is the prototypical ferroelectic perovskite and has been well studied for over 60 years. The standard structural picture is that it is cubic and paraelectric at high temperature and on cooling becomes tetragonal below 393 K, orthorhombic below 278 K and rhombohedral below 183 K. There is still, however, considerable debate regarding the local structure around the Ti atom with a widely accepted view that the TI atom is always displaced along the pseudo-cubic directions within an oxygen octahedra. Others, however, disagree. We have recently collected room temperature PDF data on GEM as part of a study of double-doped systems, and this appears to be inconsistent with the standard explanation. We wish to confirm this and also determine the local distortions in all phases through a variable temperature study.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24089674
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24089674
Provenance
Creator Dr Joe Hriljac; Mr Tim Lucas; Mr Geoff Cutts
Publisher ISIS Neutron and Muon Source
Publication Year 2015
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 2012-10-08T07:44:49Z
Temporal Coverage End 2012-10-12T09:54:27Z