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New Thermoelectric Arsenides and Antimonides for High Temperature Applications

Published online by Cambridge University Press:  01 February 2011

Hong Xu ,
Navid Soheilnia ,
Huqin Zhang ,
Paola N. Alboni ,
Terry M. Tritt  and
Holger Kleinke
Hong Xu
Affiliation:
[email protected], University of Waterloo, Waterloo, N2L 3G1, Canada
Navid Soheilnia
Affiliation:
[email protected], University of Waterloo, Waterloo, N2L 3G1, Canada
Huqin Zhang
Affiliation:
[email protected], Clemson University, Clemson, SC, 29634-0978, United States
Paola N. Alboni
Affiliation:
[email protected], Clemson University, Clemson, SC, 29634-0978, United States
Terry M. Tritt
Affiliation:
[email protected], Clemson University, Clemson, SC, 29634-0978, United States
Holger Kleinke
Affiliation:
[email protected], University of Waterloo, Waterloo, N2L 3G1, Canada
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Abstract

Three different materials crystallizing in the cubic Ir3Ge7 type are under investigation in our group, namely Mo3(Sb,Te)7, Nb3(Sb,Te)7, and Re3(E,As)7 (with E = Si, Ge, Sn). Our electronic structure calculations reveal a band gap to occur at 55 valence-electrons in all three cases, namely Mo3Sb5Te2, Nb3Sb2Te5, and Re3EAs6. Cubic holes exist in these structures that may be filled with small cations such as 3d transition metal atoms. Ni0.06Mo3Sb5.4Te1.6 is a degenerate p-type semiconductor that reaches ZT = 0.96 at 750°C, while Re3Ge0.6As6.4 is a degenerate n- type semiconductor with slightly lower ZT values. Preliminary results indicate that the Re3(Sn,As)7 system may be the most promising of the rhenium arsenides.

Keywords

thermoelectricitySbAs
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1044: Symposium U – Thermoelectric Power Generation , 2007 , 1044-U11-02
Copyright
Copyright © Materials Research Society 2008

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