Structural Investigations of Mixed-anion Argyrodites

DOI

Argyrodites exhibit promising thermoelectric (TE) properties but a structural transition causes cracking of ingots on cooling to ambient temperature, introducing problems for device construction. We have prepared series of mixed-anion derivatives of Cu8GeS6, containing halide ions that show marked reductions in the phase-transition temperature and the stabilization of the high-temperature structure at room temperature, eliminating problems of cracking. Neutron diffraction will be used to investigate the role of the larger halide ions (Br and I) in suppressing the structural transition and to provide the first structural characterization of the low temperature form of mixed-anion phases. The data will also provide information on the mobility of copper ions and shed light on the origin of the low thermal conductivity that results in promising TE performance even in non-optimized materials.

Identifier
DOI https://doi.org/10.5286/ISIS.E.98069373
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/98069373
Provenance
Creator Dr Ron Smith; Dr Paz Vaqueiro-Rodriguez; Mr Sebastian Long; Dr Steve Hull; Professor Anthony Powell
Publisher ISIS Neutron and Muon Source
Publication Year 2021
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 Chemistry; Natural Sciences
Temporal Coverage Begin 2018-10-19T07:00:00Z
Temporal Coverage End 2018-10-22T16:26:49Z