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SIC-LSD study of δ-Pu and PuOx

  • L. Petit (a1) (a2), A. Svane (a2), Z. Szotek (a3) and W. M. Temmerman (a3)


The electronic structures of actinide solid systems are calculated using the self-interaction corrected local spin density approximation. Within this scheme the 5f electron manifold is considered to consist of both localized and delo-calized states, and by varying their relative proportions the energetically most favourable (ground state) configuration can be established. Specifically, we discuss elemental Pu in its δ-phase, and the effects of adding O to PuO2.



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[1] Johansson, B. and Skriver, H. L., J. Magn. Magn. Mat. 29, 217 (1982).
[2] Jones, M. D., Boettger, J. C., Albers, R. C. and Singh, D. J., Phys. Rev. B 61, 4644 (2000).
[3] Perdew, J. P. and Zunger, A., Phys. Rev. B. 23, 5048 (1981).
[4] Temmerman, W. M., Svane, A., Szotek, Z. and Winter, H., in Electronic Density Functional Theory: Recent Progress and New Directions, edited by Dobson, J. F., Vignale, G. and Das, M. P., (Plenum, New York, 1998), p. 327.
[5] Petit, L., Svane, A., Temmerman, W. M. and Szotek, Z., Sol. State Commun. 116, 379 (2000).
[6] Söderlind, P., Landa, A., and Sadigh, B., Phys. Rev. B 66, 205109 (2002).
[7] Savrasov, S. Y. and Kotliar, G., Phys. Rev. Lett. 84, 3670 (2000).
[8] Eriksson, O., Becker, J. D., Balatsky, A. V. and Wills, J. M., J. Alloys Compd. 287, 1 (1999).
[9] Savrasov, S. Y., Kotliar, G. and Abrahams, E., Nature (London) 410, 793 (2001).
[10] Haschke, J. M., Allen, T. H., and Morales, L. A., Science 287, 285 (2000).
[11] Petit, L., Svane, A., Szotek, Z. and Temmerman, W. M., Science, 301, 498 (2003).

SIC-LSD study of δ-Pu and PuOx

  • L. Petit (a1) (a2), A. Svane (a2), Z. Szotek (a3) and W. M. Temmerman (a3)


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