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Nature of Non-magnetic Strongly-Correlated State in Plutonium

Published online by Cambridge University Press:  26 February 2011

Leniod Purovskii
Affiliation:
Leonid.Pourovskii@cpht.polytechnique.fr, Centre de Physique Theorique, Ecole Polytechnique, Paris 91128, France
Alexander Shick
Affiliation:
shick@fzu.cz, Institute of Physics ASCR, Department of Condensed Matter Theory, Na Slovance 2, Prague, 182 21, Czech Republic
Ladislav Havela
Affiliation:
lhavela@seznam.cz, Charles University, Faculty of Mathematics and Physics, Ke Karlovu 5, Prague, N/A, Czech Republic
Mikhail Katsnelson
Affiliation:
katsnel@sci.kun.nl, Radbound University, Institute for Molecules and Materials, Nijmegen,, 6525, Netherlands
Alexander Lichtenstein
Affiliation:
alichten@physnet.uni-hamburg.de, University of Hamburg, Department of Physics, Jungiusstrasse 9, Hamburg, 20355, Germany
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Abstract

Local density approximation for the electronic structure calculations has been highly successful for non-correlated systems. The LDA scheme quite often failed for strongly correlated materials containing transition metals and rare-earth elements with complicated charge, spin and orbital ordering. Dynamical mean field theory in combination with the first-principle scheme (LDA+DMFT) can be a starting point to go beyond static density functional approximation and include effects of charge, spin and orbital fluctuations. Ab-initio relativistic dynamical mean-field theory is applied to resolve the long-standing controversy between theory and experiment in the “simple” face-centered cubic phase of plutonium called δ-Pu. In agreement with experiment, neither static nor dynamical magnetic moments are predicted. In addition, the quasiparticle density of states reproduces not only the peak close to the Fermi level, which explains the large coefficient of electronic specific heat, but also main 5f features observed in photoelectron spectroscopy.

Type
Research Article
Copyright
Copyright © Materials Research Society 2007

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References

1. Freeman, A. J., and Lander, G. H., Handbook on the Physics and Chemistry of the Actinides (North-Holland, Amsterdam, 1984).Google Scholar
2. Hecker, S. S., Harbur, D. R. and Zocco, T. G., Prog. Materials Sci. 49, 429 (2004).CrossRefGoogle Scholar
3. Johansson, B., Phys. Rev. B 11, 2740 (1975).CrossRefGoogle Scholar
4. Katsnelson, M. I., Solovyev, I. V., and Trefilov, A. V., 56, 272276 (1992).Google Scholar
5. Savrasov, S. Y., Kotliar, G., and Abrahams, E., Nature 410, 793 (2001).CrossRefGoogle Scholar
6. Dai, X., et al. Science 300, 953 (2003).CrossRefGoogle Scholar
7. Lashley, J. C., Lawson, A. R., McQueenney, J., andLander, G. H., Phys. Rev. B 72, 054416 (2005).CrossRefGoogle Scholar
8. Solovyev, I. V., Liechtenstein, A. I., Gubanov, V. A., Antropov, V. P., andAndersen, O. K., Phys. Rev. B 43, 14414 (1991).CrossRefGoogle Scholar
9. Savrasov, S. Y., and Kotliar, G., Rev. Lett. 84, 26703673 (2000).CrossRefGoogle Scholar
10. Piskunov, Yu., et. al. Phys. Rev. B 71, 174410 (2005).CrossRefGoogle Scholar
11. Heffner, R. H., Morris, G. D., Fluss, M. J., et al. Phys. Rev. B 73, 094453 (2006).CrossRefGoogle Scholar
12. Arko, A. J., Joyce, J. J., Morales, L., Wills, J., Lashley, J., Wastin, F., and Rebizant, J., Phys. Rev. B 62, 1773 (2000).CrossRefGoogle Scholar
13. Terry, J., et al., Surface Science 499, L141 (2002).CrossRefGoogle Scholar
14. Havela, L., Gouder, T., Wastin, F., and Rebizant, J., Phys. Rev. B 65, 235118 (2002).CrossRefGoogle Scholar
15. Eriksson, O., Becker, J. D., Balatsky, A. V., and Wills, J. M. J. Alloys and Compounds 287, 1 (1999).CrossRefGoogle Scholar
16. Söderlind, P., Landa, A., Sadigh, B., Vitos, L., and Ruban, A., Phys. Rev. B 70, 144103 (2004).CrossRefGoogle Scholar
17. Anisimov, V. I., Aryasetiawan, F., and Lichtenstein, A. I., Condens. Matter 9, 767 (1997).CrossRefGoogle Scholar
18. Shick, A. B., Drchal, V., and Havela, L., Europhys. Lett. 69, 588 (2005).CrossRefGoogle Scholar
19. Mayer, M. Goeppert, Phys. Rev. 60, 184 (1941).CrossRefGoogle Scholar
20., Kamyshenko, V. V., Katsnelson, M. I., Lichtenstein, A. I., and Trefilov, A. V., Sov. Phys. Solid State 29, 2051 (1987).Google Scholar
21. Johansson, B., Philos. Mag. 30, 469 (1974).CrossRefGoogle Scholar
22. Georges, A:, Kotliar, G., Krauth, W., and Rozenberg, M. J., Rev. Mod. Phys. 68, 13 (1996).CrossRefGoogle Scholar
23. Pourovskii, L. V., Katsnelson, M. I., and Liechtenstein, A. I, B 72, 115106 (2005).CrossRefGoogle Scholar
24. Katsnelson, M. I., and Trefilov, A. V., Physica B 163, 182 (1990).CrossRefGoogle Scholar
25. Yamashita, Y., and Ueda, K., Phys. Rev. B 67, 195107 (2003).CrossRefGoogle Scholar
26. Tobin, J. G., et al., Phys. Rev. B 68, 155109 (2003).CrossRefGoogle Scholar
27. Havela, L., Wastin, F., Gouder, Rebizant T., Phys. Rev. B 68, 085101 (2003).CrossRefGoogle Scholar
28. Gouder, T., Eloirdi, R., Rebizant, J., Boulet, P., and Huber, F., Phys. Rev. B 71, 165101 (2005).CrossRefGoogle Scholar
29. Gouder, T., Havela, L., and Rebizant, J., Physica B 359–361, 1090 (2005).CrossRefGoogle Scholar
30. Pourovskii, L. V., Katsnelson, M. I., Lichtenstein, A. I., Havela, L., Gouder, T., Wastin, F., Shick, A. B., Drchal, V., and Lander, G. H., Europhys. Lett. 74, 479 (2006).CrossRefGoogle Scholar
31. Shick, A. B., Kolorenc, J., Havela, L., Drchal, V., and Gouder, T., to be bulished in Europhys. Lett., arXiv:cond-mat/0610794 (2006).Google Scholar

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