Cation distribution and copper mobility in thermoelectric tetrahedrites

DOI

The intrinsically low lattice thermal conductivities found for the tetrahedrites Cu12+x(Ni,Zn)ySb4S13 result in promising thermoelectric performances at elevated temperatures. We wish to explore whether such low thermal conductivities are related to increasing levels of copper disorder with increasing temperature. We also wish to explore the effect of copper excess on the degree of copper disorder. We will seek to collect powder neutron diffraction data over the temperature range 300<T/K<700 to investigate the evolution of the crystal structure, the anisotropic thermal parameters of the copper atoms and the occupancies of the metal sites as a function of temperature. We will also aim to exploit the contrast between neighbouring elements afforded by neutron diffraction to establish the transition metal distribution between tetrahedral and trigonal planar sites in these phases.

Identifier
DOI https://doi.org/10.5286/ISIS.E.42582025
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/42582025
Provenance
Creator Mr Gabin Guélou; Professor Anthony Powell; Dr Andreas Kaltzoglou; Dr Paz Vaqueiro-Rodriguez; Dr Ron Smith
Publisher ISIS Neutron and Muon Source
Publication Year 2016
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 2013-12-07T00:00:00Z
Temporal Coverage End 2013-12-11T00:00:00Z