ISIS Neutron and Muon Source Data Journal

Negative thermal expansion in ReO3: anomalous variation with temperature

Abstract: 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.

Principal Investigator: Professor Martin Dove
Experimenter: Miss Manting QIU
Experimenter: Miss Ling Wang
Experimenter: Mr Mark Wilkinson
Experimenter: Dr Anthony Phillips
Experimenter: Professor David Keen
Experimenter: Miss Jiaxun Liu
Local Contact: Dr Ronald Smith
Experimenter: Miss Lei Tan

DOI: 10.5286/ISIS.E.RB1620329

ISIS Experiment Number: RB1620329

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 Martin Dove et al; (2016): Negative thermal expansion in ReO3: anomalous variation with temperature, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620329