Hostname: page-component-cd9895bd7-lnqnp Total loading time: 0 Render date: 2024-12-27T02:35:00.386Z Has data issue: false hasContentIssue false
  • English
  • Français

First-principles Study of the Electronic Structure and Local Moment Interactions in PuAm Alloy

Published online by Cambridge University Press:  01 February 2011

Myung Joon Han ,
Xiangang Wan  and
Sergej Y Savrasov
Myung Joon Han
Affiliation:
[email protected], University of California Davis, Department of Physics, One shields avenue, Davis, CA, 95616, United States
Xiangang Wan
Affiliation:
[email protected], University of California Davis, Department of Physics, One shields avenue, Davis, CA, 95616, United States
Sergej Y Savrasov
Affiliation:
[email protected], University of California Davis, Department of Physics, One shields avenue, Davis, CA, 95616, United States
Get access

Abstract

Expected to provide a clue about the origin of zero moment in the bulk phase of Plutonium, Pu1-xAmx alloys have attracted a great attention, in which upon doping the system transforms from the Kondo lattice to the diluted impurity limit. To understand the electronic structure and the magnetic properties of Pu in different crystal environments, we performed fully self-consistent first-principles calculations of the PuAm system based on the local density approximation (LDA) combined with static (LDA+U) and dynamic corrections (LDA+DMFT) for on-site electron correlations. The electronic structure strongly depends on the level of approximation for correlation effects. The exchange interactions between Pu 5f electrons and the Kondo screening strength were estimated and compared, which provide a new insight to Pu magnetism.

Keywords

actinideelectronic structuremagnetic properties
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1104: Symposium NN – Actinides 2008—Basic Science, Applications and Technology , 2008 , 1104-NN02-08
Copyright
Copyright © Materials Research Society 2008

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1 Wills, J. M. and Eriksson, O. Los Alamos Science, edited by Cooper, N. 26, 128 (2000).Google Scholar
2 Shim, J. H. Haule, K. and Kotliar, G. Nature 446, 513 (2007)Google Scholar
3 Lashley, J. C. Lawson, A. McQueeney, R. J. and Lander, G. H. Phys. Rev. B 72, 054416 (2005).Google Scholar
4 Sarrao, J. L. Morales, L. A. Thompson, J. D. Scott, B. L. Stewart, G. R. Wastin, F. Rebizant, J., Boulet, P. Colineau, E. and Lander, G. H. Nature 420, 297 (2002).10.1038/nature01212Google Scholar
5 Curro, N. J. Caldwell, T. Bauer, E. D. Morales, L. A. Graf, M. J. Bang, Y. Balatsky, A. V., Thompson, J. D. and Sarrao, J. L. Nature 434, 622 (2005).Google Scholar
6 Wastin, F. Boulet, P. Rebizant, J. Colineau, E. Lander, G. H. J. Phys.:Condens. Matter 15, S2279 (2003).Google Scholar
7 Gouder, T. Havela, L. and Rebizant, J. Physica B 359-361, 1090 (2005).Google Scholar
8 Javorsky, P. Havela, L. Wastin, F. Colineau, E. and Bouexiere, D. Phys. Rev. Lett. 96, 156404 (2006).Google Scholar
9 Baclet, N. Dormeval, M. Havela, L. Fournier, J. M. Valot, C. Wastin, F. Gouder, T. Colineau, E., Walker, C. T. Bremier, S. Apostolidis, C. and Lander, G. H. Phys. Rev. B 75, 035101 (2007).Google Scholar
10 Savrasov, S. Y. Phys. Rev. B 54, 16470 (1996).Google Scholar
11 Savrasov, S. Y. and Kotliar, G. Phys. Rev. Lett. 84, 3670 (2000).Google Scholar
12 Schick, A. Havela, L. Kolorenc, J. Drchal, V. Gouder, T. and Oppeneer, P. M. Phys. Rev. B 73, 104415 (2006).10.1103/PhysRevB.73.104415Google Scholar
13 Savrasov, S. Y. Haule, K. and Kotliar, G. Phys. Rev. Lett. 96, 036404 (2006).Google Scholar
14 Georges, A. Kotliar, G. Krauth, W. and Rozenberg, M. J. Rev. Mod. Phys. 68, 13 (1996).Google Scholar
15 Kotliar, G. Savrasov, S. Y. Haule, K. Oudovenko, V. S. Parcollet, O. and Marianetti, C. A., Rev. Mod. Phys. 78, 865 (2006).Google Scholar
16 Ellinger, F. H. Johnson, K. A. and Struebing, V. O. J. Nucl. Mater. 20, 83 (1966).Google Scholar
17 Liechtenstein, A. I. Katsnelson, M. I. Antropov, V. P. and Gubanov, V. A. J. Magn. Magn. Mater. 67, 65 (1987).Google Scholar
18 Bruno, P. Phys. Rev. Lett. 90, 087205 (2003).Google Scholar
19 Wan, X. Yin, Q. and Savrasov, S. Y. Phys. Rev. Lett. 97, 266403 (2006).Google Scholar