Gutzwiller-correlated wave functions: Application to ferromagnetic nickel

Frontiers in Magnetic Materials

Volumn , Issue , 2005, Pages 117-151

  Bünemann, Jörg ^a   Gebhard, Florian ^a   Ohm, Torsten ^b   Weiser, Stefan ^b   Weber, Werner ^b  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b TU DORTMUND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84881349739     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/3-540-27284-4_5     Document Type: Chapter

References (56)

1. E.P. Wohlfarth in Handbook of Magnetic Materials 1, ed. by E.P. Wohlfarth (North Holland. Amsterdam. 1980). p. 1.
2. J.H. van Vleck, Rev. Mod. Phys. 25, 220 (1953).
3. M.C. Gutzwiller, Phys. Rev. Lett. 10, 159 (1963).
4. J.P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986);
5. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
6. M. Ulmke, Eur. Phys. J. B 1, 301 (1998);
7. J. Wahle, N. Blümer, J. Schlipf, K. Held, and D. Vollhardt, Phys. Rev. B 58, 12749 (1998).
8. W. Nolting, W. Borgiei, V. Dose, and Th. Fauster, Phys. Rev. B 40, 5015 (1989).
9. L. Hedin, Phys. Rev. 139, A796 (1965);
10. F. Aryasetiawan, Phys. Rev. B 46, 13051 (1992).
11. O.K. Andersen, O. Jepsen, and D. Glôtzel in Highlights of Condensed-Matter Theory, ed. by F. Bassani, F. Fumi, and M. Tosi (North-Holland, Amsterdam, 1985), p. 59;
12. W.R.L. Lambrecht and O.K. Andersen, Phys. Rev. B 34, 2439 (1986);
13. O. K. Andersen and T. Saha-Dasgupta, Phys. Rev. B 62, R16219 (2000).
14. For an introduction to dynamical mean-field theory and its applications to real materials, see, for example, K. Held, LA. 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, ed. by J. Grotendorst, D. Marks, and A. Muramatsu (NIC Series Vol. 10, 2002), p. 175.
15. M.B. Zölfi, Th. Pruschke, J. Keller, A.I. Poteryaev, LA. Nekrasov, and V.I. Anisimov, Phys. Rev. B 61, 12810 (2000).
16. A.I. Lichtenstein, M.I. Katsnelson, and G. Kotliar, Phys. Rev. Lett. 87, 067205 (2001).
17. V.I. Anisimov, J. Zaanen, and O.K. Andersen, Phys. Rev. B 44, 943 (1991).
18. I. Yang, S.Y. Savrasov, and G. Kotliar, Phys. Rev. Lett. 87, 216405 (2001).
19. Y. Xie and J.A. Blackman, Phys. Rev. B 69, 172407 (2004).
20. S. Biermann, F. Aryasetiawan, and A. Georges, Phys. Rev. Lett. 90, 086402 (2003).
21. M. Donath, Surf. Sci. Rep. 20, 251 (1994).
22. M.B. Stearns in Landolt-Bornstein New Series Group III, Vol. 19A, ed. by H.P.J. Wijn (Springer, Berlin, 1986), p. 24.
23. A. Goldmann, W. Gudat, and O. Rader in Landolt-Bornstein New Series Group III, Vol. 23C2, ed. by A. Goldmann (Springer. Berlin. 1994).
24. D.C. Tsui, Phys. Rev. 164, 669 (1967).
25. H.A. Mook, Phys. Rev. 148, 495 (1966).
26. D.E. Eastman, F.J. Himpsel, and J.A. Knapp, Phys. Rev. Lett. 40, 1514 (1978).
27. W. Eberhardt and E.W. Plummer, Phys. Rev. B 21, 3245 (1980).
28. V.L. Moruzzi, J.F. Janak, and A.R. Williams, Calculated Electronic Properties of Metals (Pergamon Press, New York, 1978).
29. This appears to be a general problem of the underlying D FT calculation. The same problem appears for Ad transition metals of bcc structure: the position of the purely 5p-state N? also appears shifted by about 0.7 eV to lower energies as compared to the D FT results, see G.W. Crabtree, D.H. Dye, D.P. Karim, D.D. Koelling, and J.B. Ketterson, Phys. Rev. Lett. 42, 390 (1977).
30. M.J. Singh, J. Callaway, and C.S. Wang, Phys. Rev. B 14, 1214 (1976).
31. G.H.O. Daalderop, P.J. Kelly, and M.F.H. Schuursmans, Phys. Rev. B 41, 11919 (1990).
32. R. Gersdorf and G. Aubert, Physica B 95, 135 (1978).
33. R. Gersdorf, Phys. Rev. Lett. 40, 344 (1978).
34. J. Bünemann, W. Weber, and F. Gebhard, Phys. Rev. B 57, 6896 (1998).
35. J. Bünemann, F. Gebhard, T. Ohm, R. Umstätter, S. Weiser, W. Weber, R. Claessen, D. Ehm, A. Harasawa, A. Kakizaki, A. Kimura, G. Nicolay, S. Shin, and V.N. Stro-cov, Europhys. Lett. 61, 667 (2003).
36. J. Bünemann, F. Gebhard, and R. Thul, Phys. Rev. B 67, 075103 (2003).
37. J.C. Slater and G.F. Koster, Phys. Rev. 94, 1498 (1954).
38. W. Weber and L.F. Mattheiss, Phys. Rev. B 25, 2270 (1982).
39. T. Ohm, S. Weiser, R. Umstätter, W. Weber, J. Bünemann, J. Low Temp. Phys. 126, 1081 (2002).
40. A. Abragam and B. Bleaney, Electron paramagnetic resonance of transition ions (Clarendon Press, Oxford, 1970).
41. P. Bruno in Magnetismus von Festkörpern und Grenzflächen (24. IFF-Ferienkurs, Forschungszentrum Jülich GmbH, 1993), p. 24-1
42. P. Escudier, Ann. Phys. (Paris) 9, 125 (1975).
43. W. Weber et al., in preparation.
44. S. Sugano, Y. Tanabe, and H. Kamimura, Multiplets of Transition-Metal Ions in Crystals (Pure and Applied Physics 33, Academic Press, New York, 1970).
45. C. Herring in Magnetism, Vol. IV, ed. by G. T. Rado and H. Suhl (Academic Press, New York, 1966), p. 1.
46. I. Scimeli, G. Czycholl, and R.C. Albers, Phys. Rev. B 68, 245102 (2003).
47. M.S. Hybertson, M. Schlüter, and N.E. Christensen, Phys. Rev. B 39, 9028 (1989).
48. G. Vielsack and W. Weber, Phys. Rev. B 54, 6614 (1996).
49. V.I. Anisimov and O. Gunnarsson, Phys. Rev. B 43, 7570 (1991).
50. J. Rath and A.J. Freeman, Phys. Rev. B 11, 2109 (1975).
51. K.-P. Kämper, W. Schmitt, and G. Güntherodt, Phys. Rev. B 42, 10696 (1990).
52. C.S. Wang and J. Callaway, Phys. Rev. B. 15, 298 (1977);
53. J. Callaway in Physics of Transition Metals 1980, ed. by P. Rhodes (Conf. Ser. Notes 55, Inst, of Physics, Bristol, 1981), p. 1.
54. J. Bünemann, J. Phys. Cond. Matt. 13, 5327 (2001).
55. S. Hüfner, Photoelectron spectroscopy, 2nd edition (Solid-State Sciences 82, Springer, Berlin, 1995).
56. S. Weiser, PhD thesis (Universitat Dortmund, 2005), unpublished.