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Electronic Structure of CsBi4Te6

Published online by Cambridge University Press:  01 February 2011

P. Larson
Affiliation:
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824
S.D. Mahanti
Affiliation:
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824
D-Y Chung
Affiliation:
Department of Chemistry, and, Michigan State University, East Lansing, MI 48824 Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824
M.G. Kanatzidis
Affiliation:
Department of Chemistry, and, Michigan State University, East Lansing, MI 48824 Center for Fundamental Materials Research, Michigan State University, East Lansing, MI 48824
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Abstract

Recently, CsBi4Te6 has been reported as a high-performance thermoelectric material for low temperature applications with a higher thermoelectric figure of merit (ZT ∼ 0.8 at 225 Kelvin) than conventional Bi2-x Sb z Te3-y Se y alloys at the same temperature. First-principle electronic structure calculations within density functional theory performed on this material give an indirect narrow-gap semiconductor. Dispersions of energy bands along different directions in k-space display large anisotropy and multiple conduction band minima close in energy, characteristics of a good thermoelectric material.

Type
Research Article
Copyright
Copyright © Materials Research Society 2000

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References

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