Effect of coulomb correlations on the electronic structure of PuCoGa 5

Physical Review Letters

Volumn 94, Issue 1, 2005, Pages

  Shick, Alexander B ^a   Janiš, Václav ^a   Oppeneer, Peter M ^b  

^a INSTITUTE OF PHYSICS   (Czech Republic)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BRILLOUIN ZONE (BZ); COULOMB CORRELATIONS; DENSITY OF STATES (DOS); LOCAL SPIN DENSITY APPROXIMATION (LSDA);

ANTIFERROELECTRIC MATERIALS; COULOMB BLOCKADE; CRYSTALLOGRAPHY; ELECTRONIC STRUCTURE; FERMI LEVEL; FERMI SURFACE; PARAMAGNETIC MATERIALS; SUPERCONDUCTING MATERIALS;

PLUTONIUM COMPOUNDS;

EID: 18144425569     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.016401     Document Type: Article

References (14)

1. J.L. Sarrao et al., Nature (London) 420, 297 (2002).
2. I. Opahle and P. M. Oppeneer, Phys. Rev. Lett. 90, 157001 (2003).
3. T. Maehira, T. Hotta, K. Ueda, and A. Hasegawa, Phys. Rev. Lett. 90, 207007 (2003).
4. J. J. Joyce et al., Phys. Rev. Lett. 91, 176401 (2003).
5. I. Opahle, S. Elgazzar, K. Koepernik, and P. M. Oppeneer Phys. Rev. B 70, 104504 (2004).
6. A.B. Shick and W.E. Pickett, Phys. Rev. Lett. 86, 300 (2001). In addition, the nonspherical f states interaction is excluded from the LSDA part in order to avoid double counting of nonspherical f contributions in the LSDA and Coulomb U parts of the effective potential.
7. This artificially assumed AFM long-range order configuration is chosen as a closest to the disordered local moment (DLM) approximation which would yield a better account for a local moment paramagnet [A. M. N. Niklasson et al., Phys. Rev. B 67, 235105 (2003)].
8. D. van der Marel and G.A. Sawatzky, Phys. Rev. B 37, 10 674 (1988); J. F. Herbst, R. E. Watson, and I. Lindgren, ibid. 14, 3265 (1976); M.S.S. Brooks et al., Physica B (Amsterdam) 144, 1 (1986); S. Y. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
9. D. van der Marel and G.A. Sawatzky, Phys. Rev. B 37, 10 674 (1988); J. F. Herbst, R. E. Watson, and I. Lindgren, ibid. 14, 3265 (1976); M.S.S. Brooks et al., Physica B (Amsterdam) 144, 1 (1986); S. Y. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
10. D. van der Marel and G.A. Sawatzky, Phys. Rev. B 37, 10 674 (1988); J. F. Herbst, R. E. Watson, and I. Lindgren, ibid. 14, 3265 (1976); M.S.S. Brooks et al., Physica B (Amsterdam) 144, 1 (1986); S. Y. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
11. D. van der Marel and G.A. Sawatzky, Phys. Rev. B 37, 10 674 (1988); J. F. Herbst, R. E. Watson, and I. Lindgren, ibid. 14, 3265 (1976); M.S.S. Brooks et al., Physica B (Amsterdam) 144, 1 (1986); S. Y. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
12. s as well.
13. z〉 projection of the total moment is the only remaining quantum number.
14. K. Moore et al., Phys. Rev. Lett. 90, 196404 (2003).