Multiplet effects in the electronic structure of δ-Pu, Am and their compounds

EPL

Volumn 77, Issue 1, 2007, Pages

  Shick, A ^a   Koloren, J ^a,b   Havela, L ^c   Drchal, V ^a   Gouder, T ^d  

^a INSTITUTE OF PHYSICS   (Czech Republic)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

^c CHARLES UNIVERSITY   (Czech Republic)

^d JOINT RESEARCH CENTRE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79051469066     PISSN: 02955075     EISSN: 12864854     Source Type: Journal    
DOI: 10.1209/0295-5075/77/17003     Document Type: Article

References (27)

1. Savrasov S. Y., Kotliar G. and Abrahams E. 2001 Nature (London) 410 793
2. Griveau J.-C., Rebizant J., Lander G. H. and Kotliar G. 2005 Phys. Rev. Lett. 94 097002
3. Söderlind P. and Sadigh B. 2004 Phys. Rev. Lett. 92 185702 and references therein
4. Söderlind P. and Landa A. 2005 Phys. Rev. B 72 024109 and references therein
5. 6 J≤0 singlet
6. Shick A. B., Drchal V. and Havela L. 2005 Europhys. Lett. 69 588
7. Shick A. B., Havela L., Koloren J., Gouder T. and Oppeneer P. 2006 Phys. Rev. B 73 104415
8. Pourovskii L. V., Katsnelson M. I., Lichtenstein A. I., Havela L., Gouder T., Wastin F., Shick A. B., Drchal V. and Lander G. H. 2006 Europhys. Lett. 74 479
9. Pourovskii L. V., Lichtenstein A. I. and Katsnelson M. I. 2005 Phys. Rev. B 72 115106
10. Pourovskii L. V., Katsnelson M. I. and Lichtenstein A. I. 2005 Phys. Rev. B 73 060506
11. Lichtenstein A. I. and Katsnelson M. I. 1998 Phys. Rev. B 57 6884
12. Dai X., Savrasov S. and Kotliar G. et al. 2003 Science 300 953
13. Dai X., Haule K. and Kotliar G. 2005 Phys. Rev. B 72 045111
14. Liechtenstein A. I., Anisimov V. I. and Zaanen J. 1995 Phys. Rev. B 52 R5467 and references therein
15. Shick A. B., Liechtenstein A. I. and Pickett W. E. 1999 Phys. Rev. B 60 10763. When SOC is taken into account, the spin is no longer a good quantum number, and the electron-electron interaction potential eq.(4) has to be modified to include contributions from spin-off-diagonal elements of the occupation matrix as given, e.g., in Yang I., Savrasov S. and Kotliar G., Phys. Rev. Lett.87 (2001) 216405
16. Shick A. B., Jani V., Drchal V. and Pickett W. E. 2004 Phys. Rev. B 70 134506
17. Perdew J. P. and Zunger A. 1981 Phys. Rev. B 23 5048
18. Potthoff M., Wegner T. and Nolting W. 1997 Phys. Rev. B 55 16132
19. H) "shift" serves as an analogon of the difference between the "local" impurity and the lattice chemical potentials (Kajueter H. and Kotliar G. 1996 Phys. Rev. Lett. 77 131 and ref.[11])
20. -1 as the procedure of ref.[11] based on the summation over Matsubara frequencies (see eq.(11) of ref.[11])
21. Svane A. 2006 Solid State Comm. 140 364
22. Gouder T. et al. 2005 Phys. Rev. B 72 115122
23. There is only a semi-qualitative agreement of our and ref.[20] results with those of Savrasov S. Y., Haule K. and Kotliar G. 2006 Phys. Rev. Lett. 96 036404 for a reason which is unclear at the moment
24. Gouder T., Wastin F., Rebizant J. and Havela L. 2000 Phys. Rev. Lett. 84 3378
25. Havela L. et al. 2002 Phys. Rev. B 65 235118
26. Havela L. et al. 2003 Phys. Rev. B 68 085101
27. Durakiewicz T. et al. 2004 Phys. Rev. B 70 205103