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Electronic Structure and Thermoelectric Properties of AxMo3Sb5Te2

Published online by Cambridge University Press:  01 February 2011

Navid Soheilnia  and
Holger Kleinke
Navid Soheilnia
Affiliation:
Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 E-mail: kleinke@uwaterloo.ca
Holger Kleinke
Affiliation:
Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 E-mail: kleinke@uwaterloo.ca
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Abstract

Mo3Sb7 may be chemically modified to become semiconducting by replacing two Sb atoms with two Te atoms (per formula unit). This material may be an attractive candidate for the thermoelectric energy conversion, as its thermal conductivity may be lowered by creating the rattling effect upon intercalation of small cations, and its band structure may be tailored, i.e. the band gap size modified. The higher the Te content and the higher the cation amount, the smaller is the band gap, which can virtually reach any value below 0.5 eV.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 793: Symposium S – Thermoelectric Materials 2003 - Research and Applications , 2003 , S6.2
Copyright
Copyright © Materials Research Society 2004

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