ISIS Neutron and Muon Source Data Journal

Phase Transitons and Phonon-Liquid-Electron Crystal Behaviour in Argyrodites

Abstract: We wish to collect powder neutron diffraction as a function of temperature on four samples of argyrodites, A8GeQ6 (A = Cu, Ag; Q = S, Se), to investigate structural phase transitions, cation ordering and cation mobility. The structure at room temperature consists of tetrahedral GeQ4 units which link AQ4 units into an open structure that contains additional 3-coordinate A cations. Structural transitions are reported to occur in the temperature range 320 < T/K < 500. We seek to investigate the onset of copper (silver) ion mobility at the phase transition and its evolution with temperature. We believe these materials to be examples of phonon-liquid-electron-crystals, which emerging evidence suggests is linked to exceptionally low thermal conductivity and thus high thermoelectric performance.

Principal Investigator: Professor Anthony Powell
Experimenter: Dr Paz Vaqueiro-Rodriguez
Experimenter: Dr Steve Hull
Experimenter: Mr Sebastian Long
Local Contact: Dr Ivan da Silva Gonzalez

DOI: 10.5286/ISIS.E.RB1620328

ISIS Experiment Number: RB1620328

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; (2016): Phase Transitons and Phonon-Liquid-Electron Crystal Behaviour in Argyrodites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620328

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