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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
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
Copyright
Copyright © Materials Research Society 1999

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References

1. (a) Aliev, F. G., Brandt, N. B., Moschalkov, V. V., Kozyrkov, V. V., Skolozdra, R. V., Belogorokhov, A. I., Z. Phys. B: Conden. Matter 80, 353 (1990);(b) F.G. Aliev, Physica B 171, 199 (1991); (c) R. Kuentzler, R. Clad, G. Schmerber, Y. Dossmann, J. Magn. Mater. 104–107, 1976 (1992); (d) H. Hohl, A. P. Ramirez, W. Käfer, K. Fess, Ch. Thurner, Ch. Kloc, E. Bucher, Mater. Res. Soc. Symp. Proc. 478, 109 (1997).CrossRefGoogle Scholar
2. Ogut, S., Rabe, K. M., Phys. Rev. B 51, 10443 (1995).CrossRefGoogle Scholar
3. Takegahara, K., Kasuya, T., Solid State Commun. 74, 243 (1990).CrossRefGoogle Scholar
4. Solanki, A. K., Kashyap, A., Auluck, S., Brooks, M.S.S., J. Appl. Phys. 75, 6301 (1994).CrossRefGoogle Scholar
5. Dhar, S. K., Ramakrishnan, S., Vijayarghavan, R., Chandra, G., Satoh, K., Itoh, J., Onuko, Y., Gschneider, K. A. Jr., Phys. Rev. B 49, 641 (1994).CrossRefGoogle Scholar
6. Karla, I., Pierre, J., Skolozdra, R. V., J. Alloys Compd. 265, 42 (1998).CrossRefGoogle Scholar
7. McMullen, G. J., Roy, M. P., J. Phys.: Conden Matter 4, 7095 (1992).Google Scholar
8. Oppener, P. M., Antonov, V. N., Yaresco, A. N., Perlov, A. Ya, Eschrig, H., Phys. Rev. Lett. 78, 4079 (1997).CrossRefGoogle Scholar
9. Villars, P., Calvert, L. D., Pearson's Handbook of Crystallographic Data for Intermetallic Phases (American Society of Metals, Metals Park, OH, 1985).Google Scholar
10. Hartjes, K., Jeitschko, W., J. Alloys Compd. 226, 81, (1995).CrossRefGoogle Scholar
11. Dwight, A.E., Proceedings of the Rare Earth Research Conference, (11 th, Michigan, 1974), 2, 642 (1974).Google Scholar
12. Lingmin, Z., Jialin, Y., Xiangli, O., Wei, H., Yinghong, Z., Trans. Nonferrous Met. Soc. China 8, 1, 18 (1998).Google Scholar
13. Evain, M., U-fit: “A cell parameter refinement program”, Institut des matériaux de Nantes, France 1992.Google Scholar
14. Larson, P., Mahanti, S.D., Sportouch, S., Kanatzidis, M.G., submitted to Phys. Rev. B. Google Scholar
15. Sportouch, S., Bastea, M., Uher, C., Kanatzidis, M. G., manuscript in preparation.Google Scholar
16. Käifer, W., Fess, K., Kloc, Ch., Friemelt, K., Bucher, E., Inst. Phys. Conf. Ser. 152A, 185 (1997).Google Scholar
17. Aliev, F. G., Brandt, N. B., Moschalkov, V. V., Kozyrkov, V. V., Skolozdra, R. V., Belogorokhov, A. I., Z. Phys B: Conden. Matter 75, 167 (1989).CrossRefGoogle Scholar
18. Singh, D., Plane waves, pseudopotentials and the LAPW method, (Kluwer Academic Press, Boston, 1994).CrossRefGoogle Scholar
19. (a) Hohenberg, P., Kohn, W., Phys. Rev. 136, B864 (1964); (b) W. Kohn, L. Sham, Phys. Rev. A 140, 1133 (1965).CrossRefGoogle Scholar
20. Perdew, J. P., Burke, Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).CrossRefGoogle Scholar
21. Blaha, P., Schwarz, K., Luitz, J., WIEN97, Vienna University of Technology 1997.Google Scholar
22. The values of atomic radii23 were taken as 2.18 a.u. for Ni and as 2.36 a.u. for As, Sb, and Bi. The atomic radii for the rare earths were kept constant at 2.46 a.u., close to the value for Y. Adjustment of these radii within a reasonable range showed little dependence of the final band structure on these variations. Convergence of the self-consistent iterations was performed with 22 k-points in the reduced Brillouin zone to within 0.0001 Ry with a cutoff between valence and core states of −6.0 Ry. Scalar relativistic corrections and spin-orbit (SO) interactions were included in the calculation. The latter is particularly significant for f-electrons and for heavy atoms such as Bi.Google Scholar
23. Pauling, L., J. Am. Chem. Soc. 69, 542 (1947).CrossRefGoogle Scholar
24. Runge, E.K.R., Albers, R. C., Christensen, N. E., Zwicknagl, G. E., Phys. Rev. B 51, 10375 (1995).CrossRefGoogle Scholar
25. There has been some suggestion (see Mahan, G. and Sofo, J. O., Proc. Natl. Acad. Sci. USA 93, 7436 (1996)) that if f-levels lie close to the Fermi energy, the systems can exhibit large thermoelectric response.CrossRefGoogle Scholar
26. Uher, C., Yang, J., Hu, S., Morelli, D. T., Meisner, G. P., submitted to Phys. Rev. B. Google Scholar
27. Band calculations indicate all these compounds to be narrow gap semiconductors except YbNiSb, which is predicted to be a heavy fermion metal.Google Scholar

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