First-principles study of α-Pu 2O 3

Journal of Nuclear Materials

Volumn 420, Issue 1-3, 2012, Pages 159-163

  Shi, Hongliang ^a,b   Zhang, Ping ^a,c  

^a INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^b INSTITUTE OF SEMICONDUCTORS   (China)

^c PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY DISTRIBUTIONS; DENSITY OF STATE; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; MAGNETIC ORDERS; ORBITALS; PER UNIT;

ELECTRONIC STRUCTURE; LATTICE CONSTANTS; MAGNETIC MOMENTS;

CALCULATIONS;

EID: 80155211261     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2011.08.041     Document Type: Article

References (37)

1. H.L. Skriver, O.K. Andersen, and B. Johansson Phys. Rev. Lett. 41 1978 42
2. D.R. Stephens J. Phys. Chem. Solids 24 1963 1197
3. R.G. Liptai, and R.J. Friddle J. Less-Common Metals 10 1966 292
4. S.Y. Savrasov, and G. Kotliar Phys. Rev. Lett. 84 2000 3670
5. 3, University of California Radiation Laboratory Report July 1952, Report No. UCRL-1886; J.M. Haschke, T.H. Allen, L.A. Morales, Los Alamos Sci. 26 (2000) 253.
6. W.H. Zachariasen, Metallurgical Laboratory Report, CK-1530, 1944; T.D. Chikalla, C.E. McNeilly, R.E. Skavdahl, J. Nucl. Mater. 12 (1964) 131.
7. IAEA Technical Reports Series, No. 79, International Atomic Energy Agency, Vienna, 1967.
8. N.V. Skorodumova, S.I. Simak, B.I. Lundqvist, I.A. Abrikosov, and B. Johansson Phys. Rev. Lett. 89 2002 166601
9. A. Lichtenstein, J. Zaanen, and V. Anisimov Phys. Rev. B 52 1995 R5467
10. B. Sun, P. Zhang, and X.-G. Zhao J. Chem. Phys. 128 2008 084705
11. Gérald. Jomard, B. Amadon, Francois Bottin, and M. Torrent Phys. Rev. B 78 2008 075125
12. D.A. Andersson, J. Lezama, B.P. Uberuaga, C. Deo, and S.D. Conradson Phys. Rev. B 79 2009 024110
13. L. Petit, A. Svane, Z. Szotek, W.M. Temmerman, G.M. Stocks, arXiv:0908.1806v1.
14. M. Butterfield, T. Durakiewicz, E. Guziewicz, J. Joyce, A. Arko, K. Graham, D. Moore, and L. Morales Surf. Sci. 571 2004 74
15. J.J. Joyce, T. Durakiewicz, K.S. Graham, E.D. Bauer, D.P. Moore, J.N. Mitchell, J.A. Kennison, R.L. Martin, L.E. Roy, and G.E. Scuseria J. Phys.: Conf. Ser. 273 2011 012023
16. M. Idiri, T. Le Bihan, S. Heathman, and J. Rebizant Phys. Rev. B 70 2004 014113
17. J.-P. Dancausse, E. Gering, S. Heathman, and U. Benedict High Press. Res. 2 1990 381
18. G. Kresse, and J. Hafner Phys. Rev. B 48 1993 13115
19. Y. Wang, and J.P. Perdew Phys. Rev. B 44 1991 13298
20. P. Blöchl Phys. Rev. B 50 1994 17953
21. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1972 5188
22. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
23. C.E. McNeilly J. Nucl. Mater. 11 1964 53
24. S. Kern, R.A. Robinson, H. Nakotte, G.H. Lander, B. Cort, P. Watson, and F.A. Vigil Phys. Rev. B 59 1999 104
25. G. Raphael, and R. Lallement Solid State Commun. 6 1968 383
26. I.D. Prodan, G.E. Scuseria, J.A. Sordo, K.N. Kudin, and R.L. Martin J. Chem. Phys. 123 2005 014703
27. F. Jollet, G. Jomard, B. Amadon, J.P. Crocombette, and D. Torumba Phys. Rev. B 80 2009 235109
28. D. Gryaznov, E. Heifets, and D. Sedmidubsky Phys. Chem. Chem. Phys. 12 2010 12273
29. P. Zhang, B.-T. Wang, and X.-G. Zhao Phys. Rev. B 82 2010 144110
30. Y. Tokunaga J. Alloys Compd. 444 2007 241
31. F.H. Ellinger The Metal Plutonium 1961 The University of Chicago Press Chicago
32. F. Birch Phys. Rev. 71 1947 809
33. R.G. Haire, and J.M. Haschke MRS Bull. 26 2001 689
34. I.D. Prodan, G.E. Scuseria, and R.L. Martin Phys. Rev. B 73 2006 045104
35. M. Regulski, R. Przenioslo, I. Sosnowska, D. Hohlwein, and R. Schneider J. Alloys Compd. 362 2004 236
36. J.L.F. Da Silva, M.V. Ganduglia-Pirovano, J. Sauer, V. Bayer, and G. Kresse Phys. Rev. B 75 2007 045121
37. K. Huber, in: D.E. Gray (Ed.), American Institute of Physics Handbook, McGraw-Hill, New York, 1972.