Extended dynamical mean-field theory and GW method

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 8, 2002, Pages 851201-8512020

  Sun, Ping ^a   Kotliar, Gabriel ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DENSITY; INTERMETHOD COMPARISON; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR PHYSICS; THEORY;

EID: 0037104338     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.085120     Document Type: Article

References (64)

1. A. Georges, G. Kotliar, W. Krauth, and M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996).
2. P.G.J. van Dongen, Phys. Rev. Lett. 67, 757 (1991); Phys. Rev. B 49, 7904 (1993); 14 016 (1994); 1584 (1996).
3. P.G.J. van Dongen, Phys. Rev. Lett. 67, 757 (1991); Phys. Rev. B 49, 7904 (1993); 14 016 (1994); 1584 (1996).
4. P.G.J. van Dongen, Phys. Rev. Lett. 67, 757 (1991); Phys. Rev. B 49, 7904 (1993); 14 016 (1994); 1584 (1996).
5. P.G.J. van Dongen, Phys. Rev. Lett. 67, 757 (1991); Phys. Rev. B 49, 7904 (1993); 14 016 (1994); 1584 (1996).
6. A. Schiller and K. Ingersent, Phys. Rev. Lett. 75, 113 (1995); G. Zaránd, D.L. Cox, and A. Schiller, Phys. Rev. B 62, R16 227 (2000).
7. A. Schiller and K. Ingersent, Phys. Rev. Lett. 75, 113 (1995); G. Zaránd, D.L. Cox, and A. Schiller, Phys. Rev. B 62, R16 227 (2000).
8. M.H. Hettler, A.N. Tahvildar-Zadeh, M. Jarrell, T. Pruschke, and H.R. Krishnamurthy, Phys. Rev. B 58, R7475 (1998); M.H. Hettler, M. Mukherjee, M. Jarrell, and H.R. Krishnamurthy, ibid. 61, 12 739 (2000).
9. M.H. Hettler, A.N. Tahvildar-Zadeh, M. Jarrell, T. Pruschke, and H.R. Krishnamurthy, Phys. Rev. B 58, R7475 (1998); M.H. Hettler, M. Mukherjee, M. Jarrell, and H.R. Krishnamurthy, ibid. 61, 12 739 (2000).
10. S. Biermann, A. Georges, A. Lichtenstein, and T. Giamarchi, Phys. Rev. Lett. 87, 276405 (2001).
11. G. Kotliar, S. Savrasov, G. Palsson, and G. Biroli, Phys. Rev. Lett. 87, 186401 (2001) and references therein.
12. G. Biroli and G. Kotliar, Phys. Rev. B 65, 155112 (2002).
13. S. Sachdev and J. Ye, Phys. Rev. Lett. 70, 3339 (1993).
14. H. Kajueter, Ph.D. thesis, Rutgers University, 1996.
15. Q. Si, S. Rabello, K. Ingersent, and J.L. Smith, Nature (London) 413, 804 (2001); J.L. Smith and Q. Si, Phys. Rev. B 61, 5184 (2000); Q. Si and J.L. Smith, Phys. Rev. Lett. 77, 3391 (1996).
16. Q. Si, S. Rabello, K. Ingersent, and J.L. Smith, Nature (London) 413, 804 (2001); J.L. Smith and Q. Si, Phys. Rev. B 61, 5184 (2000); Q. Si and J.L. Smith, Phys. Rev. Lett. 77, 3391 (1996).
17. Q. Si and J.L. Smith, Phys. Rev. Lett. 77, 3391 (1996).
18. Q. Parcollet and A. Georges, Phys. Rev. B 59, 5341 (1999).
19. R. Chitra and G. Kotliar, Phys. Rev. Lett. 84, 3678 (2000); Phys. Rev. B 63, 115110 (2001).
20. R. Chitra and G. Kotliar, Phys. Rev. Lett. 84, 3678 (2000); Phys. Rev. B 63, 115110 (2001).
21. Y. Motome and G. Kotliar, Phys. Rev. B 62, 12 800 (2000).
22. S. Pankov, G. Kotliar, and,Y. Motome, Phys. Rev. B 66, 045117 (2002).
23. V.I. Anisimov, A.I. Poteryaev, M.A. Korotin, A.O. Anokhin, and G. Kotliar, J. Phys.: Condens. Matter 9, 7359 (1997).
24. S. Savrasov, G. Kotliar, and E. Abrahams, Nature (London) 410, 793 (2001); S. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
25. S. Savrasov, G. Kotliar, and E. Abrahams, Nature (London) 410, 793 (2001); S. Savrasov and G. Kotliar, Phys. Rev. Lett. 84, 3670 (2000).
26. G. Kotliar and S. Y. Savrasov, in New Theoretical Approaches to Strongly Correlated Systems, edited by A. M. Tsvelik (Kluwer Academic, Dordrecht, 2001).
27. For a review, see K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, T. Pruschke, V. I. Anisimov, and D. Vollhardt, in Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms, edited by J. Grotendorst, D. Marx, and A. Muramatsu, NIC Series Vol, 10 (NIC Directors, Forschungszentrum Jülich, 2002), p. 175.
28. J.E. Hirsch, Phys. Rev. Lett. 87, 206402 (2001).
29. M. Springer and F. Aryasetiawan, Phys. Rev. B 57, 4364 (2001).
30. N.E. Zein and V.P. Antropov, cond-mat/0202483 (unpublished).
31. G. D. Mahan, Many-Particle Physics (Plenum, New York, 1981), Chap. 5.
32. D.R. Hamann and S.B. Fahy, Phys. Rev. B 47, 1717 (1993).
33. Lars Hedin, Phys. Rev. 139, A796 (1965).
34. R. Pietig, R. Bulla, and S. Blawid, Phys. Rev. Lett. 82, 4046 (1999).
35. A. Ochiai, T. Suzuki, and T. Kasuya, J. Phys. Soc. Jpn. 59, 4129 (1990).
36. S. Mori, C.H. Chen, and S.-W. Cheong, Nature (London) 392, 473 (1998); C.H. Chen and S.-W. Cheong, Phys. Rev. Lett. 76, 4042 (1996).
37. S. Mori, C.H. Chen, and S.-W. Cheong, Nature (London) 392, 473 (1998); C.H. Chen and S.-W. Cheong, Phys. Rev. Lett. 76, 4042 (1996).
38. Y. Tomioka, A. Asamitsu, H. Kuwahara, and Y. Tokura, J. Phys. Soc. Jpn. 66, 302 (1997).
39. J.B. Torrance, J.E. Vazquez, J.J. Mayerle, and V.Y. Lee, Phys. Rev. Lett. 46, 253 (1981); J.B. Torrance, A. Girlando, J.J. Mayerle, J.I. Crowley, V.Y. Lee, and P. Batail, ibid. 47, 1747 (1981).
40. J.B. Torrance, J.E. Vazquez, J.J. Mayerle, and V.Y. Lee, Phys. Rev. Lett. 46, 253 (1981); J.B. Torrance, A. Girlando, J.J. Mayerle, J.I. Crowley, V.Y. Lee, and P. Batail, ibid. 47, 1747 (1981).
41. N. Nagaosa and J. Takimoto, J. Phys. Soc. Jpn. 55, 2735 (1986).
42. T. Egami, S. Ishihara, and M. Tachiki, Science 261, 1307 (1993); S. Ishihara, T. Egami, and M. Tachiki, Phys. Rev. B 49, 8944 (1994); S. Ishihara, M. Tachiki, and T. Egami, ibid. 49, 16 123 (1994).
43. T. Egami, S. Ishihara, and M. Tachiki, Science 261, 1307 (1993); S. Ishihara, T. Egami, and M. Tachiki, Phys. Rev. B 49, 8944 (1994); S. Ishihara, M. Tachiki, and T. Egami, ibid. 49, 16 123 (1994).
44. T. Egami, S. Ishihara, and M. Tachiki, Science 261, 1307 (1993); S. Ishihara, T. Egami, and M. Tachiki, Phys. Rev. B 49, 8944 (1994); S. Ishihara, M. Tachiki, and T. Egami, ibid. 49, 16 123 (1994).
45. In E-DMFT, since the on-site interaction U does not get renormalized, one may find that the procedure of separating the Hartree contribution does not affect the result as far as the local interaction is concerned. So practically one can leave this term alone. The difference comes from the nonlocal interaction where the bare interaction vertex is replaced. by an effective, on-site, and retarded one.
46. C. J. Bolech, S. S. Kancharla, and G. Kotliar, cond-mat/0206166 (unpublished).
47. J.W. Negele and H. Orland, Quantum Many-Particle Systems (Addison-Wesley, Reading, MA, 1988), Chap. 2.
48. J.E. Hirsch and R.M. Fye, Phys. Rev. Lett. 56, 2521 (1986).
49. G.M. Buendia, Phys. Rev. B 33, 3519 (1986).
50. The overall accuracy of E-DMFT, which consists of the QMC solution of the impurity model and the self-consistent calculations, is of the order 0.001. If not otherwise specified, all the data presented in this paper have an accuracy of ∼0.001. The centers of the various symbols in the diagrams represent the locations of the data while their sizes do not reflect the accuracy. All functions of the Matsubara frequency are calculated at the corresponding discrete values. The lines connecting the points are guides to the eye.
51. In presenting the phonon-related results we always set λ = 0. A finite λ is used only in the QMC simulations.
52. S. Doniach and E.H. Sondheimer, Green's Functions for Solid State Physicists (Benjamin, New York, 1974), Chaps. 6 and 7.
53. G. Strinati, H.J. Mattausch, and W. Hanke, Phys. Rev. Lett. 45, 290 (1980); Phys. Rev. B 25, 2867 (1982).
54. G. Strinati, H.J. Mattausch, and W. Hanke, Phys. Rev. Lett. 45, 290 (1980); Phys. Rev. B 25, 2867 (1982).
55. B. Holm and U. von Barth, Phys. Rev. B 57, 2108 (1998).
56. C.-O. Almbladh, U. Von Barth, and R. Van Leeuwen, Int. J. Mod. Phys. B 13, 535 (1999).
57. A.A. Abrikosov, L.P. Gorkov, and I.E. Dzyaloshinski, Methods of Quantum Field Theory in Statistical Physics (Prentice-Hall, Englewoods Cliffs, N.J. 1963), Sec. 10.
58. P. Nozieres, Theory of Interacting Fermi Systems (Addison-Wesley, Reading, MA, 1964), Chap. 3.
59. W. Metzner and D. Vollhardt, Phys. Rev. Lett. 62, 324 (1989).
60. L. Steinbeck, A. Rubio, L. Reining, M. Torrent, I.D. White, and R.W. Godby, Comput. Phys. Commun. 125, 105 (2000); T.J. Pollehn, A. Schindlmayr, and R.W. Godby, J. Phys.: Condens. Matter 10, 1273 (1998).
61. L. Steinbeck, A. Rubio, L. Reining, M. Torrent, I.D. White, and R.W. Godby, Comput. Phys. Commun. 125, 105 (2000); T.J. Pollehn, A. Schindlmayr, and R.W. Godby, J. Phys.: Condens. Matter 10, 1273 (1998).
62. S.S. Kancharla and C.J. Bolech, Phys. Rev. B 64, 085119 (2001).
63. We would like to thank Dr. S.S. Kancharla and Dr. C.J. Bolech for allowing us to use their DMRG programs for the calculation.
64. M.E. Torio, A.A. Aligia, and H.A. Ceccatto, Phys. Rev. B 64, R121105 (2001) and references therein.