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Observed Properties and Electronic Structure of RNiSb Compounds (R = Ho, Er, Tm, Yb and Y). Potential Thermoelectric Materials

Published online by Cambridge University Press:  10 February 2011

S. Sportouch ,
P. Larson ,
M. Bastea ,
P. Brazist ,
J. Ireland ,
C. R. Kannewurf ,
S. D. Mahanti ,
C. Uher  and
M. G. Kanatzidis
S. Sportouch
Affiliation:
Department of Chemistry, Michigan State University, East Lansing, MI 48824
P. Larson
Affiliation:
Department of Physics and Astronomy, Michigan State University, MI 48824
M. Bastea
Affiliation:
Department of Physics, University of Michigan, Ann Arbor, MI 48190–1120
P. Brazist
Affiliation:
Department of Electrical Engineering and Computer Science, Northwestern University, Evanston, IL 60208
J. Ireland
Affiliation:
Department of Electrical Engineering and Computer Science, Northwestern University, Evanston, IL 60208
C. R. Kannewurf
Affiliation:
Department of Electrical Engineering and Computer Science, Northwestern University, Evanston, IL 60208
S. D. Mahanti
Affiliation:
Department of Physics and Astronomy, Michigan State University, MI 48824
C. Uher
Affiliation:
Department of Physics, University of Michigan, Ann Arbor, MI 48190–1120
M. G. Kanatzidis
Affiliation:
Department of Chemistry, Michigan State University, East Lansing, MI 48824
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Abstract

The RNiSb compounds (R=Ho, Er, Tm, Yb and Y) and some selected solid solution members such as (Zr1-xErx)Ni(Sn1-xSbx) and ErNiSb1-xPnx (Pn=As, Sb, Bi) have been studied. They all crystallize in the MgAgAs structure type, which can be considered as a NaCI structure type in which half of the interstitial tetrahedral sites are occupied by Ni atoms. The measured values of the Seebeck coefficients, at room temperature, are positive for RNiSb (R=Ho, Er, Yb and Y) compounds and ErNiSb1-xPnx (Pn=As, Sb, Bi) solid solutions, but for (Zr1-xErx)Ni(Sn1-xSbx) members vary from negative to positive values when 0 < x < 1. Some of these compounds show metallic conductivity while others exhibit thermally activated charge transport. Solid solutions of these materials have lower thermal conductivities than the pure members, RNiSb (R=Ho, Er, Yb and Y) and ZrNiSn. The electronic structures of RNiSb compounds, where R is Y, La, Lu, and Yb, have been studied with density functional theory. The results of the calculations for these systems, except for the Yb compound, indicate narrow gap semiconductors with large effective masses near the conduction band extrema. The Yb system is expected to show heavy fermion characteristics.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 545: Symposium Z – Thermoelectric Materials 1998 - The Next Generation… , 1998 , 421
Copyright
Copyright © Materials Research Society 1999

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