Magnetic state and electronic structure of plutonium from "first principles" calculations

Journal of Alloys and Compounds

Volumn 444-445, Issue SPEC. ISS., 2007, Pages 42-49

  Anisimov, V I ^a   Shorikov, A O ^a   Kunes J ^b,c  

^a INSTITUTE OF METAL PHYSICS   (Russian Federation)

^b UNIVERSITY OF AUGSBURG   (Germany)

^c INSTITUTE OF PHYSICS   (Czech Republic)

Author keywords

Electron electron interactions; Electronic band structure; Metals

Indexed keywords

ACTINIDES; BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STATES; ELECTRONIC STRUCTURE;

MAGNETIC STATE; PARTIAL LOCALIZATION;

PLUTONIUM;

EID: 34548129671     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2006.10.150     Document Type: Article

References (31)

1. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
2. Kohn W., and Sham L.J. Phys. Rev. 140 (1965) A1133
3. A.J. Freeman, D.D. Koelling, in: A.J. Freeman, J.B. Darby (Eds.), The Actinides: Electronic Structure and Related Properties, vol. 1, Academic, New York, 1974, p. 51.
4. Georges A., Kotliar G., Krauth W., and Rozenberg M.J. Rev. Mod. Phys. 68 (1996) 13
5. Eriksson O., et al. J. Alloys Compd. 287 (1999) 1
6. Petit L., Svane A., Szotek Z., Strange P., Winter H., and Temmerman W.M. J. Phys.: Condens. Matter 13 (2001) 8697
7. Kutepov A.L., and Kutepova S.G. J. Phys.: Condens. Matter 15 (2003) 2607
8. Kutepov A.L., and Kutepova S.G. J. Magn. Magn. Mater. 272-276 (2004) 329
9. Söderlind P., and Sadigh B. Phys. Rev. Lett. 92 (2004) 185702
10. Heathman S., Haire R.G., Le Bihan T., Lindbaum A., Idiri M., Normile P., Li S., Ahuja R., Johansson B., and Lander G.H. Science 309 (2005) 110-113
11. Lashley J.C., Lawson A.C., McQueeney R.J., and Lander G.H. Phys. Rev. B 72 (2005) 054416
12. Heffner R.H., et al. Phys. Rev. B 73 (2006) 094453
13. Savrasov S.Y., and Kotliar G. Phys. Rev. Lett. 84 (2000) 3670
14. Soderlind P., et al. Phys. Rev. 61 (2000) 8119
15. Soderlind P., et al. Phys. Rev. 72 (2005) 024109
16. Anisimov V.I., Aryasetiawan F., and Lichtenstein A.I. J. Phys.: Condens. Matter 9 (1997) 767
17. Bouchet J., Siberchicot B., Jollet F., and Pasturel A. J. Phys.: Condens. Matter 12 (2000) 1723
18. Anisimov V.I., Poteryaev A.I., Korotin M.A., Anokhin A.O., and Kotliar G. J. Phys.: Condens. Matter 9 (1997) 7359
19. G. Kotliar, D. Vollhardt, Phys. Today 57 (March (3)) (2004) 53.
20. Shorikov A.O., et al. Phys. Rev. B 72 (2005) 024458
21. Shick A.B., et al. Europhys. Lett. 69 (2005) 588
22. A.O. Shorikov, V.I. Anisimov, unpublished.
23. Shick A.B., et al. Phys. Rev. B 73 (2006) 104415
24. van der Laan G., Moore K.T., Tobin J.G., Chung B.W., Wall M.A., and Schwartz A.J. Phys. Rev. Lett. 93 (2004) 097401
25. Kotliar G., Savrasov S.Y., Haule K., Oudovenko V.S., Parcollet O., and Marianetti C.A. Rev. Mod. Phys. 78 (2006) 865-951
26. Savrasov S.Y., Kotliar G., and Abrahams E. Nature 410 (2001) 793
27. Savrasov S.Y., and Kotliar G. Phys. Rev. B 69 (2004) 245101
28. Pourovskii L.V., et al. Europhys. Lett. 74 (2006) 479
29. J. Kunes, A.O. Shorikov, V.I. Anisimov, 2006, unpublished.
30. N.G. Cooper (Ed.), Challenges in Plutonium Science, LANL, Los Alamos, NM, Los Alamos Sci. 26 (2000).
31. Naegele J.R., Manes L., Spirlet J.C., and Müller W. Phys. Rev. Lett. 52 (1986) 1834