Electronic correlation strength of Pu

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 4, 2013, Pages

  Svane, A ^a   Albers, R C ^b   Christensen, N E ^a   Van Schilfgaarde, M ^c   Chantis, A N ^d   Zhu, Jian Xin ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c KING'S COLLEGE LONDON   (United Kingdom)

^d AMERICAN PHYSICAL SOCIETY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84872914043     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.045109     Document Type: Article

References (62)

1. L. Hedin, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
2. L. Hedin and S. Lundqvist, in Solid State Physics, edited by, F. Seitz, D. Turnbull, and, H. Ehrenreich, Vol. 23 (Academic Press, New York, 1969), pp. 1-181.
3. L. Hedin, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/ 11/42/201 11, R489 (1999).
4. F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/61/3/002 61, 247 (1998).
5. A. N. Chantis, R. C. Albers, A. Svane, and N. E. Christensen, Phil. Mag. 1478-6435 10.1080/14786430902720960 89, 1801 (2009).
6. A. Kutepov, K. Haule, S. Y. Savrasov, and G. Kotliar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.155129 85, 155129 (2012).
7. H. H. Hill, in Plutonium 1970 and Other Actinides, edited by, W. N. Miner, (American Institute of Mechanical Engineers, New York, 1970), p. 2.
8. A. M. Boring and J. L. Smith, in Challenges in Plutonium Science, Los Alamos Science No. 26, edited by, N. G. Cooper, (Los Alamos National Laboratory, Los Alamos, 2000), pp. 90-127.
9. J. L. Smith and E. A. Kmetko, J. Less Common Met. JCOMAH 0022-5088 10.1016/0022-5088(83)90119-4 90, 83 (1983). (Pubitemid 13527808)
10. D. G. Pettifor, in Structures of Intermetallic Compounds, edited by, J. H. Westbrook, and, R. L. Fleischer, (Wiley, New York, 2000), Chap. 8, pp. 195-214.
11. P. Villars, J. Less Common Met. JCOMAH 0022-5088 10.1016/0022-5088(83) 90489-7 92, 215 (1983). (Pubitemid 13608443)
12. D. G. Pettifor, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/19/3/002 19, 285 (1986).
13. N. E. Christensen, S. Satpathy, and Z. Pawlowska, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.36.1032 36, 1032 (1987).
14. D. G. Pettifor, Mater. Sci. Technol. MSCTEP 0267-0836 10.1179/026708388790221700 4, 675 (1988).
15. C. C. Fischer, K. J. Tibbetts, D. Morgan, and G. Ceder, Nat. Mater. 1476-1122 10.1038/nmat1691 5, 641 (2006). (Pubitemid 44157682)
16. O. Fischer, M. Kugler, I. Maggio-Aprile, and C. Berthod, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.79.353 79, 353 (2007). (Pubitemid 46420257)
17. H. Takahashi, K. Igawa, K. Arii, Y. Kamihara, M. Hirano, and H. Hosono, Nature (London) NATUAS 0028-0836 10.1038/nature06972 453, 376 (2008). (Pubitemid 351693133)
18. E. D. Bauer, J. D. Thompson, J. L. Sarrao, L. A. Morales, F. Wastin, J. Rebizant, J. C. Griveau, P. Javorsky, P. Boulet, E. Colineau, G. H. Lander, and G. R. Stewart, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.147005 93, 147005 (2004).
19. J. L. Sarrao and J. D. Thompson, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.76.051013 76, 051013 (2007).
20. C. Pfleiderer, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.81. 1551 81, 1551 (2009).
21. J. C. Duthie and D. G. Pettifor, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.38.564 38, 564 (1977).
22. H. L. Skriver, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.31.1909 31, 1909 (1985).
23. R. C. Albers, N. E. Christensen, and A. Svane, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/34/343201 21, 343201 (2009).
24. A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.68.13 68, 13 (1996).
25. G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.78.865 78, 865 (2006).
26. K. Held, O. K. Andersen, M. Feldbacher, A. Yamasaki, and Y.-F. Yang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/6/064202 20, 064202 (2008). (Pubitemid 351622637)
27. J. Kuneš, I. Leonov, M. Kollar, K. Byczuk, V. Anisimov, and D. Vollhardt, Eur. Phys. J. Special Topics 10.1140/epjst/e2010-01209-0 180, 5 (2010).
28. M. Imada and T. Miyake, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.79.112001 79, 112001 (2010).
29. P. Sun and G. Kotliar, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66. 085120 66, 085120 (2002).
30. S. Biermann, F. Aryasetiawan, and A. Georges, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.086402 90, 086402 (2003).
31. J. M. Tomczak, M. Casula, T. Miyake, F. Aryasetiawan, and S. Biermann, EPL 0295-5075 10.1209/0295-5075/100/67001 100, 67001 (2012).
32. M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
33. M. van Schilfgaarde, T. Kotani, and S. V. Faleev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.245125 74, 245125 (2006).
34. T. Kotani, M. van Schilfgaarde, and S. V. Faleev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165106 76, 165106 (2007).
35. A. Svane, N. E. Christensen, M. Cardona, A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 245120 81, 245120 (2010).
36. A. Svane, N. E. Christensen, I. Gorczyca, M. van Schilfgaarde, A. N. Chantis, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.115102 82, 115102 (2010).
37. A. Svane, N. E. Christensen, M. Cardona, A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84. 205205 84, 205205 (2011).
38. S. V. Faleev, M. van Schilfgaarde, and T. Kotani, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.126406 93, 126406 (2004).
39. A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.086405 96, 086405 (2006). (Pubitemid 43327443)
40. A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.165126 76, 165126 (2007).
41. The most strongly correlated phase of Pu is δ Pu, which has a temperature between about 600 and 700 K. As noted in Ref., "the delocalization process of the 5 f electrons," i.e., the correlation effects, continues to produce anomalies as high as 2000 K in temperature in many of these properties, well into the high-temperature liquid phase of Pu. Also, see Ref..
42. A. A. Abrikosov, L. P. Gorkov, and I. E. Dzyaloshinski, Methods of Quantum Field Theory in Statistical Physics (Prentice-Hall, Englewood Cliffs, NJ, 1963).
43. P. Nozieres, Theory of Interacting Fermi Systems (W. A. Benjamin, New York, 1964).
44. A. C. Hewson, The Kondo Problem to Heavy Fermions (Cambridge University Press, Cambridge, 1993).
45. J. Hubbard, Proc. Roy. Soc. A 276, 38 (1963).
46. K. Byczuk, M. Kollar, K. Held, Y.-F. Yang, I. A. Nekrasov, T. Pruschke, and D. Vollhardt, Nat. Phys. 1745-2473 10.1038/nphys538 3, 168 (2007).
47. O. J. Wick, Plutonium Handbook: A Guide to the Technology (Gordon and Breach, New York, 1967).
48. S. S. Hecker, MRS Bull. MRSBEA 0883-7694 10.1557/mrs2001.176 26, 672 (2001).
49. S. S. Hecker, Met. Mat. Trans. A MMTAEB 1073-5623 10.1007/s11661-006- 0200-1 35A, 2207 (2004).
50. S. S. Hecker, D. R. Harbur, and T. G. Zocco, Prog. Mater. Sci. PRMSAQ 0079-6425 10.1016/S0079-6425(03)00032-X 49, 429 (2004).
51. R. C. Albers, Nature (London) NATUAS 0028-0836 10.1038/35071205 410, 759 (2001). (Pubitemid 32303758)
52. We have not included spin-orbit effects, which can be safely ignored for the purposes of this paper. The Pu f DOS splits into a pair of clearly separated j = 5 / 2 and 7/2 peaks. To include spin-orbit, we would need to calculate the bandwidth of each peak separately and use that corresponding to j = 5 / 2. By ignoring spin-orbit coupling, we are saved from this additional trouble, which is not expected to change the effective f bandwidths. Recent spin-orbit GW calculations have been calculated in Pu (Ref.). However these have been done in the fully self-consistent GW method, which usually is a poor approximation in solids due to an incorrect treatment of plasmon effects. Since the DOS in this paper includes broadening effects due to the imaginary part of the self-energy in all of the different approximation that were used, it is also unclear how bandwidth narrowing would separately be affected by spin-orbit effects.
53. J. Bouchet, R. C. Albers, M. D. Jones, and G. Jomard, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.095503 92, 095503 (2004).
54. f (E) as the weight function does not serve the purpose of emphasizing the central over the "hybridization wings" in the f DOS.
55. ′, and ε phases, respectively.
56. rel (β) = 0.55.
57. M. Boivineau, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/S0022-3115(01) 00549-9 297, 97 (2001). (Pubitemid 32599974)
58. M. Boivineau, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2009.04. 008 392, 568 (2009).
59. W. H. Zachariasen and F. H. Ellinger, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X63002012 16, 777 (1963).
60. W. H. Zachariasen and F. H. Ellinger, Acta Crystallogr. 16, 395 (1963).
61. W. H. Zachariasen and F. H. Ellinger, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X55001357 8, 431 (1955).
62. F. H. Ellinger, J. Metals 8, 1256 (1956).