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High-temperature order/disorder transition in the thermoelectric Cu3SbSe3

Published online by Cambridge University Press:  19 April 2011

Melanie Kirkham ,
Paul Majsztrik ,
Eric Skoug ,
Donald Morelli ,
Hsin Wang ,
Wallace D. Porter ,
E. Andrew Payzant  and
Edgar Lara-Curzio
Melanie Kirkham*
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
Paul Majsztrik
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
Eric Skoug
Affiliation:
Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824
Donald Morelli
Affiliation:
Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824
Hsin Wang
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
Wallace D. Porter
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
E. Andrew Payzant
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
Edgar Lara-Curzio
Affiliation:
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
*
a)Address all correspondence to this author. e-mail: kirkhammj@ornl.gov
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Abstract

We report the results of an investigation on the structural evolution of a potential new thermoelectric material, Cu3SbSe3, as a function of temperature from 25 to 390 °C. From high-temperature x-ray diffraction data, the refined lattice parameters were seen to change nonlinearly, but continuously, with temperature, with an increased rate of thermal expansion in the a and b lattice parameters from around 125 °C to 175 °C and negative thermal expansion in the c axis from around 100 °C to 175 °C. Crystallographic charge flipping analysis indicated an increase in the disorder of the copper cations with temperature. This reversible order/disorder phase transition in Cu3SbSe3 affects the transport properties, as evidenced by thermal conductivity measurements, which change from negative to positive slope at the transition temperature. This structural change in Cu3SbSe3 has implications for its potential use in thermoelectric generators.

Keywords

ThermoelectricX-ray diffraction (XRD)Phase transformation
Type
Articles
Information
Journal of Materials Research , Volume 26 , Issue 15: Focus Issue: Advances in Thermoelectric Materials , 14 August 2011 , pp. 2001 - 2005
Copyright
Copyright © Materials Research Society 2011

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References

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