Dynamical mean-field theory and its applications to real materials

Journal of the Physical Society of Japan

Volumn 74, Issue 1, 2005, Pages 136-146

  Vollhardt, D ^a   Held, K ^b,e   Keller, G ^a   Bulla, R ^a   Pruschke, Th ^c   Nekrasov, I A ^d   Anisimov, V I ^d,f  

^a UNIVERSITY OF AUGSBURG   (Germany)

^b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^c UNIVERSITY OF GÖTTINGEN   (Germany)

^d INSTITUTE OF METAL PHYSICS   (Russian Federation)

^e MAX PLANCK INSTITUTE FOR HUMAN DEVELOPMENT   (Germany)

^f Optical Spectroscopy Department

Author keywords

Ab initio computational approaches; Dynamical mean field theory; Mott Hubbard metal insulator transition; Strongly correlated electron systems

Indexed keywords

EID: 24744453904     PISSN: 00319015     EISSN: 00319015     Source Type: Journal    
DOI: 10.1143/JPSJ.74.136     Document Type: Article

References (87)

1. For a recent review of the electronic correlation problem, see M. Imada, A. Fujimori and Y. Tokura: Rev. Mod. Phys. 70 (1998) 1039.
2. W. Metzner and D. Vollhardt: Phys. Rev. Lett. 62 (1989) 324.
3. U. Brandt and C. Mielsch: Z. Phys. B 75 (1989) 365.
4. E. Müller-Hartmann: Z. Phys. B 76 (1989) 211.
5. V. Janiš: Z. Phys. B 83 (1991) 227;
6. V. Janiš and D. Vollhardt: Int. J. Mod. Phys. 6 (1992) 731.
7. A. Georges and G. Kotliar: Phys. Rev. B 45 (1992) 6479.
8. M. Jarrell: Phys. Rev. Lett. 69 (1992) 168.
9. D. Vollhardt: in Correlated Electron Systems, ed. V. J. Emery (World Scientific, Singapore, 1993) p. 57.
10. Th. Pruschke, M. Jarrell and J. K. Freericks: Adv. Phys. 44 (1995) 187.
11. For a comprehensive review, see A. Georges, G. Kotliar, W. Krauth and M. J. Rozenberg: Rev. Mod. Phys. 68 (1996) 13.
12. G. Kotliar and D. Vollhardt: Phys. Today 57 (Mar, 2004) No. 3, 53.
13. P. W. Anderson: Phys. Rev. 124 (1961) 41.
14. A. C. Hewson: The Kondo Problem to Heavy Fermions (Cambridge University Press, Cambridge, 1993) Cambridge Studies in Magnetism, Vol. 2.
15. J. Kondo: Prog. Theor. Phys. 32 (1964) 37.
16. P. Nozières: J. Low Temp. Phys. 17 (1974) 31.
17. J. Hubbard: Proc. R. Soc. London, Ser. A 281 (1964) 401.
18. M. C. Gutzwiller: Phys. Rev. Lett. 10 (1963) 159.
19. W. F. Brinkman and T. M. Rice: Phys. Rev. B 2 (1970) 4302.
20. Th. Pruschke, R. Bulla and M. Jarrell: Phys. Rev. B 61 (2000) 12799;
21. N. S. Vidhyadhiraja and D. E. Logan: Eur. Phys. J. B 39 (2004) 313.
22. N. F. Mott: Rev. Mod. Phys. 40 (1968), 677;
23. Metal-Insulator Transitions (Taylor & Francis, London, 1990).
24. F. Gebhard: The Mott Metal-Insulator Transition (Springer, Berlin, 1997).
25. D. B. McWhan and J. P. Remeika: Phys. Rev. B 2 (1970) 3734.
26. D. B. McWhan, A. Menth, J. P. Remeika, W. F. Brinkman and T. M. Rice: Phys. Rev. B 7 (1973) 1920.
27. R. Bulla: Phys. Rev. Lett. 83 (1999) 136.
28. M. J. Rozenberg, R. Chitra and G. Kotliar: Phys. Rev. Lett. 83 (1999) 3498.
29. J. Joo and V. Oudovenko: Phys. Rev. B 64 (2001) 193102.
30. R. Bulla, T. A. Costi and D. Vollhardt: Phys. Rev. B 64 (2001) 045103.
31. S.-K. Mo, H.-D. Kim, J. W. Allen, G.-H. Gweon, J. D. Denlinger, J.-H. Park, A. Sekiyama, A. Yamasaki, S. Suga, P. Metcalf and K. Held: Phys. Rev. Lett. 93 (2004) 076404.
32. V. I. Anisimov, A. I. Poteryaev, M. A. Korotin, A. O. Anokhin and G. Kotliar: J. Phys.: Condens. Matter 9, 7359 (1997);
33. A. I. Lichtenstein and M. I. Katsnelson: Phys. Rev. B 57 (1998) 6884.
34. K. Held, I. A. Nekrasov, N. Blümer, V. I. Anisimov and D. Vollhardt: Int. J. Mod. Phys. B 15 (2001) 2611;
35. K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, Th. Pruschke, V. I. Anisimov and D. Vollhardt: Psi-k Newsletter 56 (2003) 65 (http://psi-k.dl.ac.uk/newsletters/News_56/Highlight_56. pdf).
36. A. I. Lichtenstein, M. I. Katsnelson and G. Kotliar: in Electron Correlations and Materials Properties, ed. A. Gonis, N. Kioussis and M. Ciftan (Kluwer Academic/Plenum, New York, 2002) p. 428 (available as cond-mat/0112079).
37. M. B. Zölfl, Th. Pruschke, J. Keller, A. I. Poteryaev, I. A. Nekrasov and V. I. Anisimov: Phys. Rev. B 61 (2000) 12810.
38. I. A. Nekrasov, K. Held, N. Blümer, A. I. Poteryaev, V. I. Anisimov and D. Vollhardt: Eur. Phys. J. B 18 (2000) 55.
39. J. E. Hirsch and R. M. Fye: Phys. Rev. Lett. 56 (1986) 2521; for multiband QMC within DMFT, see ref. 30.
40. For a review, see M. Jarrell and J. E. Gubernatis: Phys. Rep. 269 (1996) 133.
41. A. Fujimori, I. Hase, H. Namatame, Y. Fujishima, Y. Tokura, H. Eisaki, S. Uchida, K. Takegahara and F. M. F. de Groot: Phys. Rev. Lett. 69 (1992) 1796;
42. A. Fujimori, I. Hase, M. Nakamura, H. Namatame, Y. Fujishima, Y. Tokura, M. Abbate, F. M. F. de Groot, M. T. Czyzyk, J. C. Fuggle, O. Strebel, F. Lopez, M. Domke and G. Kaindl: Phys. Rev. B 46 (1992) 9841.
43. A. Sekiyama, H. Fujiwara, S. Imada, S. Suga, H. Eisaki, S. I. Uchida, K. Takegahara, H. Harima, Y. Saitoh, I. A. Nekrasov, G. Keller, D. E. Kondakov, A. V. Kozhevnikov, Th. Pruschke, K. Held, D. Vollhardt and V. I. Anisimov: Phys. Rev. Lett. 93 (2004) 156402. This joint experimental and theoretical paper supercedes the preprints cond-mat/0206471 and cond-mat/0211508 of the two groups of authors.
44. E. Pavarini, S. Biermann, A. Poteryaev, A. I. Lichtenstein, A. Georges and O. K. Andersen: Phys. Rev. Lett. 92 (2004) 176403.
45. A. Liebsch: Phys. Rev. Lett. 90 (2003) 096401;
46. A. Liebsch: Eur. Phys. J. 32 (2003) 477.
47. G. Keller, K. Held, V. Eyert, V. I. Anisimov and D. Vollhardt: Phys. Rev. B 70 (2004) 205116.
48. I. H. Inoue, I. Hase, Y. Aiura, A. Fujimori, K. Morikawa, T. Mizokawa, Y. Haruyama, T. Maruyama and Y. Nishihara: Physica C 235-240 (1994) 1007.
49. We note that the absorption measurements were taken at the O K-edge. Therefore the spherical symmetry of the V-2p shell in the final state remains intact. Consequently, the XAS data can be expected to be quite similar to (still unavailable) inverse PES data.
50. M. O. Krause and J. H. Oliver: J. Phys. Chem. Ref. Data 8 (1979) 329.
51. I. H. Inoue: private communication.
52. Y. Aiura, F. Iga, Y. Nishihara, H. Ohnuki and H. Kato: Phys. Rev. B 47 (1993) 6732;
53. I. H. Inoue, I. Hase, Y. Aiura, A. Fujimori, Y. Haruyama, T. Maruyama and T. Nishihara: Phys. Rev. Lett. 74 (1995) 2539;
54. I. H. Inoue, O. Goto, H. Makino, N. E. Hussey and M. Ishikawa: Phys. Rev. B 58 (1998) 4372.
55. I. H. Inoue, C. Bergemann, I. Hase and S. R. Julian: Phys. Rev. Lett. 88 (2002) 236403.
56. K. Held, G. Keller, V. Eyert, V. I. Anisimov and D. Vollhardt: Phys. Rev. Lett. 86 (2001) 5345.
57. S.-K. Mo, J. D. Denlinger, H.-D. Kim, J.-H. Park, J. W. Allen, A. Sekiyama, A. Yamasaki, K. Kadono, S. Suga, Y. Saitoh, T. Muro, P. Metcalf, G. Keller, K. Held, V. Eyert, V. I. Anisimov and D. Vollhardt: Phys. Rev. Lett. 90 (2003) 186403.
58. J. M. Luttinger and J. C. Ward: Phys. Rev. 118 (1960) 1417.
59. M. Schramme: Ph. D. Thesis, Universität Augsburg, 2000;
60. M. Schramme et al.: unpublished.
61. O. Müller, J.-P. Urbach, E. Goering, T. Weber, R. Barth, H. Schuler, M. Klemm, S. Horn and M. L. denBoer: Phys. Rev. B 56 (1997) 15056.
62. Handbook on the Physics and Chemistry of Rare Earths, ed. K. A. Gschneider, Jr. and L. R. Eyring (North-Holland, Amsterdam, 1978).
63. J. S. Olsen, L. Gerward, U. Benedict and J.-P. Itié: Physica B+C 133 (1985) 129.
64. A. K. McMahan, C. Huscroft, R. T. Scalettar and E. L. Pollock: J. Comput.-Aided Mater. Des. 5 (1998) 131.
65. B. Johansson: Philos. Mag. 30 (1974) 469;
66. B. Johansson, I. A. Abrikosov, M. Aldén, A. V. Ruban and H. L. Skriver: Phys. Rev. Lett. 74 (1995) 2335.
67. J. W. Allen and R. M. Martin: Phys. Rev. Lett. 49 (1982) 1106.
68. L. Z. Liu, J. W. Allen, O. Gunnarson and O. K. Andersen: Phys. Rev. B 45 (1992) 8934;
69. J. W. Allen and L. Z. Liu: Phys. Rev. B 46 (1992) 5047;
70. M. Lavagna, C. Lacroix and M. Cyrot: Phys. Lett. A 90 (1982) 210.
71. S. Y. Savrasov, G. Kotliar and E. Abrahams: Nature 410 (2001) 793;
72. S. Y. Savrasov and G. Kotliar: Phys. Rev. B 69 (2004) 245101.
73. M. B. Zölfl, I. A. Nekrasov, Th. Pruschke, V. I. Anisimov and J. Keller: Phys. Rev. Lett. 87 (2001) 276403.
74. K. Held, A. K. McMahan and R. T. Scalettar: Phys. Rev. Lett. 87 (2001) 276404.
75. A. K. McMahan, K. Held and R. T. Scalettar: Phys. Rev. B 67 (2003) 75108.
76. K. Held, C. Huscroft, R.T. Scalettar and A. K. McMahan: Phys. Rev. Lett. 85 (2000) 373;
77. see also C. Huscroft, A. K. McMahan and R. T. Scalettar: Phys. Rev. Lett. 82 (1999) 2342.
78. K. Held and R. Bulla: Eur. Phys. J. B 17 (2000) 7.
79. f - 1).
80. D. M. Wieliczka, C. G. Olson and D. W. Lynch: Phys. Rev. B 29 (1984) 3028.
81. E. Wuilloud, H. R. Moser, W. D. Schneider and Y. Baer: Phys. Rev. B 28 (1983) 7354.
82. V. I. Anisimov, D. E. Kondakov, A. V. Kozhevnikov, I. A. Nekrasov, Z. V. Pchelkina, G. Keller, I. Leonov, X. Ren, D. Vollhardt, J. W. Allen, S.-K. Mo, H.-D. Kim, S. Suga and A. Sekiyama: cond-mat/0407359.
83. S. Biermann, F. Aryasetiawan and A. Georges: Phys. Rev. Lett. 90 (2003) 086402.
84. M. H. Hettler, A. N. Tahvildar-Zadeh, M. Jarrell, T. Pruschke and H. R. Krishnamurthy: Phys. Rev. B 58 (1998) R7475;
85. M. H. Hettler, M. Mukherjee, M. Jarrell and H. R. Krishnamurthy: Phys. Rev. B 61 (2000) 12739.
86. G. Kotliar, S. Savrasov, G. Pallson and G. Biroli: Phys. Rev. Lett. 87 (2001) 186401; A. I. Poteryaev, A. I. Lichtenstein and G. Kotliar: cond-mat/0311319.
87. T. Maier, M. Jarrell, T. Pruschke and M. H. Hettler: cond-mat/0404055.