Structural origin of negative thermal expansion in ScF3

DOI

Scandium fluoride has recently been identified as a very simple example of a material showing negative thermal expansion over a wide range of temperatures. In particular, it might be thought to illustrate the classic mechanism of thermally excited octahedral rotations causing shrinkage of the crystal on heating. However, recent work has suggested that the dynamics are much more anharmonic than suggested by this picture. We are proposing a total scattering experiment, with results to be analysed by the Reverse Monte Carlo method. Previous successes with this method on perovskites suggest that this approach should be capable of giving a good structural understanding of the processes that lead to negative thermal expansion.

Identifier
DOI https://doi.org/10.5286/ISIS.E.58450000
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/58450000
Provenance
Creator Dr Matthew Tucker; Miss Tingting Zhang; Dr Anthony Phillips; Professor Martin Dove; Miss Juan Du
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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 2015-04-09T07:00:00Z
Temporal Coverage End 2015-04-13T08:54:52Z