High resolution measurement of mode Grueneisen parameters in the negative thermal expansion material ZrW2O8

DOI

ZrW2O8 is the classic example of a material exhibiting negative thermal expansion (NTE), i.e. lattice shrinkage on warming. The origin of this behaviour has been controversial for a long time, but is widely believed to be intimately linked to the lattice dynamics. Ab-inito studies have suggested that there is no single phonon mode that is responsible for the NTE, rather a collection of low energy modes all contribute. These same ab-initio studies have been used to explain the origin of negative hydration expansion (lattice shrinkage on intercalation of water) in ZrW2O8. The aim of this proposal is to verify the calculations directly using single crystal inelastic neutron scattering to measure how all of the low energy modes shift as a function of temperature, a key prediction of the theoretical work.

Identifier
DOI https://doi.org/10.5291/ILL-DATA.7-01-521
Metadata Access https://data.ill.fr/openaire/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=10.5291/ILL-DATA.7-01-521
Provenance
Creator Ollivier, Jacques; Ewings, Russell
Publisher Institut Laue-Langevin
Publication Year 2021
Rights OpenAccess; info:eu-repo/semantics/openAccess
OpenAccess true
Representation
Resource Type Dataset
Size 5 GB
Version 1
Discipline Particles, Nuclei and Fields