Negative thermal expansion in ReO3: anomalous variation with temperature

DOI

ReO3 is a well-known oxide framework with unusual thermal expansion behaviour, exhibiting multiple regions of both positive and negative thermal expansion (NTE). We propose to investigate its local structure using total neutron scattering. We will analyse the resulting data using the reverse Monte Carlo method, with an emphasis on understanding the rigid unit mode fluctuations associated with NTE. The analysis will construct the distribution of atomic positions associated with these fluctuations, and from its temperature dependence we will be able to observe the effects of the anharmonic effects that must be the physical origin of the anomalous NTE behaviour. Comparison with ongoing analysis of the isomorphic material ScF3 will give new insights into the behaviour of these archetypal NTE materials.

Identifier
DOI https://doi.org/10.5286/ISIS.E.83555989
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/83555989
Provenance
Creator Mr Mark Wilkinson; Professor David Keen; Miss Lei Tan; Dr Ron Smith; Miss Jiaxun Liu; Miss Ling Wang; Miss Manting QIU; Dr Anthony Phillips; Professor Martin Dove
Publisher ISIS Neutron and Muon Source
Publication Year 2019
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 Natural Sciences; Physics
Temporal Coverage Begin 2016-11-27T08:00:00Z
Temporal Coverage End 2016-11-30T08:00:00Z