Electronic Properties of <mml:math id="E1" xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mrow><mml:mtext>NdOs</mml:mtext></mml:mrow><mml:mtext mathvariant="bold">4</mml:mtext></mml:msub><mml:msub><mml:mrow><mml:mtext>Sb</mml:mtext></mml:mrow><mml:mrow><mml:mtext mathvariant="bold">12</mml:mtext></mml:mrow></mml:msub></mml:mrow></mml:math>

Galvan, Donald H.

doi:https://doi.org/10.1155/2007/29717

Advances in Materials Science and Engineering

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Research Letter | Open Access

Volume 2007 | Article ID 029717 | https://doi.org/10.1155/2007/29717

Electronic Properties of NdOs4Sb12

Donald H. Galvan¹

Academic Editor: Tsutomu Ohzuku

Received11 Jul 2007

Accepted09 Nov 2007

Published06 Dec 2007

Abstract

Theoretical calculations on NdOs4Sb12-filled skutterudite are reported. The calculated energy bands yield indication of a semimetallic behavior, while the projected density of states provides support for the existence of hybridization formed by Nd f-, Os d-, and Sb p-states.

References

W. Jeitschko and D. J. Braun, “ ${LaFe}_{4} P_{12}$ with filled ${CoAs}_{3}$ -type structure and isotypic lanthanoid-transition metal polyphosphides,” Acta Crystallographica B, vol. 33, pp. 3401–3406, 1977.
View at: Publisher Site | Google Scholar
G. P. Meisner, M. S. Torikachvili, K. N. Yang, M. B. Maple, and R. P. Guertin, “ ${UFe}_{4} P_{12}$ and ${CeFe}_{4} P_{12}$ : nonmetallic isotypes of superconducting ${LaFe}_{4} P_{12}$ ,” Journal of Applied Physics, vol. 57, no. 8, pp. 3073–3075, 1985.
View at: Publisher Site | Google Scholar
D. T. Morelli and G. P. Meisner, “Low temperature properties of the filled skutterudite ${CeFe}_{4} {Sb}_{12}$ ,” Journal of Applied Physics, vol. 77, pp. 3777–3781, 1995.
View at: Publisher Site | Google Scholar
D. A. Gajewski, N. R. Dilley, E. D. Bauer et al., “Heavy fermion behaviour of the cerium-filled skutterudites ${CeFe}_{4} {Sb}_{12}$ and ${Ce}_{0.9} {Fe}_{3} {CoSb}_{12}$ ,” Journal of Physics: Condensed Matter, vol. 10, no. 31, pp. 6973–6985, 1998.
View at: Publisher Site | Google Scholar
M. B. Maple, N. R. Dilley, D. A. Gajewski et al., “Strongly correlated electron phenomena in filled skutterudite compounds,” Physica B, vol. 259–261, pp. 8–9, 1999.
View at: Google Scholar
D. H. Galvan and C. Samaniego, “Electronic structure calculations for ${PrOs}_{4} {Sb}_{12}$ filled skutterudite. A theoretical approach using extended Huckel tight-binding method,” Physical Review B, vol. 70, no. 4, Article ID 045108, 5 pages, 2004.
View at: Publisher Site | Google Scholar
N. Takeda and M. Ishikawa, “Anomalous magnetic properties of ${CeRu}_{4} {Sb}_{12}$ ,” Physica B, vol. 259–261, pp. 92–93, 1999.
View at: Google Scholar
C. Sekine, T. Uchiumi, I. Shirotani, and T. Yagi, “Metal-insulator transition in ${PrRu}_{4} P_{12}$ with skutterudite structure,” Physical Review Letters, vol. 79, no. 17, pp. 3218–3221, 1997.
View at: Publisher Site | Google Scholar
M. S. Torikachvili, C. Rossel, M. W. McElfresh, M. B. Maple, R. P. Guertin, and G. P. Meisner, “Low temperature specific heat and magnetoresistance of the ferromagnetic semiconductor ${UFe}_{4} P_{12}$ ,” Journal of Magnetism and Magnetic Materials, vol. 54–57, pp. 365–366, 1986.
View at: Publisher Site | Google Scholar
M. E. Danebrock, C. B. H. Evers, and W. Jeitschko, “Magnetic properties of alkaline earth and lanthanoid iron antimonides ${AFe}_{4} {Sb}_{12}$ (A = Ca, Sr, Ba, La-Nd, Sm, Eu) with the ${LaFe}_{4} P_{12}$ structure,” Journal of Physics and Chemistry of Solids, vol. 57, no. 4, pp. 381–387, 1996.
View at: Publisher Site | Google Scholar
G. P. Meisner, G. R. Stewart, M. S. Torikachvili, and M. B. Maple, in Proceedings of the 17th International Conference on Low Temperature Physics, U. Eckern, A. Schmid, W. Weber, and H. Wuhl, Eds., p. 711, Elsevier, Amsterdam, The Netherlands, August 1984.
I. Shirotani, T. Uchiumi, and K. Ohno, “Superconductivity of filled skutterudites ${LaRu}_{4} {As}_{12}$ and ${PrRu}_{4} {As}_{12}$ ,” Physical Review B, vol. 56, no. 13, pp. 7866–7869, 1997.
View at: Publisher Site | Google Scholar
E. Bauer, S. Berger, Ch. Paul et al., “Crystal field effects and thermoelectric properties of ${PrFe}_{4} {Sb}_{12}$ skutterudite,” Physical Review B, vol. 66, no. 21, Article ID 214421, 9 pages, 2002.
View at: Publisher Site | Google Scholar
B. C. Sales, D. Mandrus, and R. K. Williams, “Filled skutterudite antimonides: a new class of thermoelectric materials,” Science, vol. 272, no. 5266, pp. 1325–1328, 1996.
View at: Publisher Site | Google Scholar
J.-P. Fleurial, A. Borshchevsky, T. Caillat, D. T. Morelli, and G. P. Meisner, in Proceedings of the 15th International Conference on Thermoelectrics, p. 186, IEEE Piscataway, Pasadena, Calif, USA, March 1996.
M.-H. Whangbo and R. Hoffmann, “The band structure of the tetracyanoplatinate chain,” Journal of the American Chemical Society, vol. 100, no. 19, pp. 6093–6098, 1978.
View at: Publisher Site | Google Scholar
R. Hoffmann, “An extended Hückel theory. I. Hydrocarbons,” Journal of Chemical Physics, vol. 39, no. 6, pp. 1397–1412, 1963.
View at: Publisher Site | Google Scholar
G. A. Landrum, “The YAeHMOP package,” http://overlap.chem.Cornell.edu:8080/yaehmop.html. F orbitals are included in the calculation as a version 3.x, using W. V. Glassey's routine.
View at: Google Scholar
D. H. Galván, “Extended Hückel calculations on cubic boron nitride and diamond,” Journal of Materials Science Letters, vol. 17, no. 10, pp. 805–810, 1998.
View at: Google Scholar
P.-C. Ho, W. M. Yuhasz, N. P. Butch et al., “Ferromagnetism and possible heavy-fermion behavior in single crystals of ${NdOs}_{4} {Sb}_{12}$ ,” Physical Review B, vol. 72, Article ID 094410, 9 pages, 2005.
View at: Google Scholar
A. J. Mills, M. Lavagna, and P. A. Lee, “Plasma oscillations in heavy-fermion materials,” Physical Review B, vol. 36, no. 1, pp. 864–867, 1987.
View at: Publisher Site | Google Scholar
P. Fulde, Electron Correlations in Molecules & Solids, Springer, Berlin, Germany, 2nd edition, 1993.

Copyright

Copyright © 2007 Donald H. Galvan. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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