The impact of manganese substitution on the structure and properties of tetrahedrite

Guélou, G., Powell, A., Smith, R. I. and Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262 (2019) The impact of manganese substitution on the structure and properties of tetrahedrite. Journal of Applied Physics, 126 (4). 031928JAP. ISSN 0021-8979 doi: 10.1063/1.5110696

Abstract/Summary

The crystal structure of the tetrahedrites Cu12-xMnxSb4S13 (x = 0, 1) has been studied by powder neutron diffraction between room temperature and 773 K. At all temperatures investigated, manganese exclusively occupies tetrahedral sites, while the trigonal-planar sites contain only copper. In situ diffraction data confirm the stability of the tetrahedrite phase up to 773 K, with no evidence of copper mobility at elevated temperatures. Analysis of atomic displacement parameters indicate that there are low-energy vibrations associated with the trigonal-planar and the tetrahedral copper cations. The Einstein temperatures for the copper cations range between 79 and 91 K. Manganese substitution increases the electrical resistivity and the Seebeck coefficient, while the thermal conductivity is reduced. This results in a modest improvement in the thermoelectric figure of merit for Cu12MnSb4S13, which reaches ZT=0.56 at 573 K.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/84795
Identification Number/DOI	10.1063/1.5110696
Refereed	Yes
Divisions	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Xray (CAF)
Uncontrolled Keywords	thermoelectric, energy, tetrahedrite
Publisher	American Institue of Physics
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