ISIS Neutron and Muon Source Data Journal

Structural Investigations of Mixed-anion Argyrodites

Abstract: 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.

Principal Investigator: Professor Anthony Powell
Local Contact: Dr Ronald Smith
Experimenter: Dr Paz Vaqueiro-Rodriguez
Experimenter: Mr Sebastian Long
Experimenter: Dr Steve Hull

DOI: 10.5286/ISIS.E.RB1820121

ISIS Experiment Number: RB1820121

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 Anthony Powell et al; (2018): Structural Investigations of Mixed-anion Argyrodites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820121

Data is released under the CC-BY-4.0 license.