Skip to main content

Electronic structure and ordered phases in transition metal oxides: application of the dynamical mean-field theory

  • Interactions
  • Conference paper
  • First Online:
Advances in Solid State Physics 40

Part of the book series: Advances in Solid State Physics ((ASSP,volume 40))

Abstract

Over the past years the dynamical mean-field theory has been established as a reliable technique to calculate various properties of standard models for correlated electron systems. Since its basic ideas are rather general, it can be employed to go beyond model theory and use a combination of standard techniques of material sciences like DFT/L(S)DA and the DMFT to obtain a more realistic description of the lattice structure together with a reliable account for the many-particle dynamics of the system. As an example for the method and its concepts we discuss the application to transition metal oxides and present results for single-particle properties and the phase diagram of La1−xSrxTiO3 and La1−xSrxMnO3.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Bibliography

  1. P. Hohenberg, W. Kohn, Phys. Rev. 136, B864(1964); W Kohn, L.J. Sham, Phys. Rev. 140, A1133(1965).

    Article  ADS  MathSciNet  Google Scholar 

  2. J. Hubbard, Proc. R. Soc. a276, 238(1963); J. Kanamori, Prog. Theor. Phys. 30, 257(1963); M.C. Gutzwiller, Phys. Rev. Lett. 10, 159 (1963).

    Article  ADS  Google Scholar 

  3. V.I. Anisimov, J. Zaanen, O.K. Andersen, Phys. Rev. B44, 943 (1991).

    Article  ADS  Google Scholar 

  4. V.I. Anisimov, F. Aryasetiawan, A.I. Lichtenstein, J. Phys.: Condens. Mater 9, 767(1997); V.I. Anisimov, I.S. Elfimov, M.A. Korotin and K. Terakura, Phys. Rev. B55, 15494(1997).

    Article  ADS  Google Scholar 

  5. Th. Pruschke, M. Jarrell and J.K. Freericks, Adv. in Phys. 44, 187 (1995); A. Georges, G. Kotliar W. Krauth, M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996).

    Article  ADS  Google Scholar 

  6. C. Itzykson und J.M. Drouffe, Statistical Field Theory, Vol. I & II (Cambridge University Press 1989).

    Google Scholar 

  7. W. Metzner und D. Vollhardt, Phys. Rev. Lett. bf 62, 324(1989).

    Article  ADS  Google Scholar 

  8. V. Janiš, Z. Phys. B83, 227 (1991); A. Georges and G. Kotliar, Phys. Rev. B45, 6479(1992); M. Jarrell, Phys. Rev. Lett. 69, 168(1992).

    Article  ADS  Google Scholar 

  9. A.C. Hewson, The Kondo Problem to Heavy Fermions, Cambridge University Press, Cambridge (1993).

    Book  Google Scholar 

  10. M. Jarrell, Phys. Rev. Lett. 69, 168(1992); M. Rozenberg, X.Y. Zhang, G. Kotliar, Phys. Rev. Lett. 69, 1236(1992); A Georges, W. Krauth, Phys. Rev. Lett. 69, 1240(1992).

    Article  ADS  Google Scholar 

  11. M. Caffarel, W. Krauth, Phys. Rev. Lett. 72, 1545(1994); M. Rozenberg, G. Moeller, G. Kotliar, Mod. Phys. Lett. B8, 535(1994); Q. Si, M. Rozenberg, G. Kotliar, A.E. Ruckenstein, Phys. Rev. Lett. 72, 2761(1994).

    Article  ADS  Google Scholar 

  12. A. Georges, G. Kotliar, Phys. Rev. B 45, 6479(1992); A. Levy Yeyati, A. Martín-Rodero and F. Flores, Phsy. Rev. Lett. 71, 2991(1993); H. Kajueter and G. Kotliar, Phys. Rev. Lett. 77, 131(1996).

    Article  ADS  Google Scholar 

  13. H. Keiter, J.C. Kimbal, Phys. Rev. Lett. 25, 672(1970); N.E. Bickers, D.L. Cox, J.W. Wilkins, Phys. Rev. B36, 2036(1987).

    Article  ADS  Google Scholar 

  14. K.G. Wilson, Rev. Mod. Phys. 47, 773(1975); H.R. Krishna-murthy, J.W. Wilkins and K.G. Wilson, Phys. Rev. B21, 1003 & 1044(1980); O. Sakai and Y. Kuramoto, Sol. Stat. Comm. 89 307(1994); R. Bulla, Th. Pruschke and A.C. Hewson J. Phys.: Cond. Matter 10, 8365(1998).

    Article  ADS  Google Scholar 

  15. D. Logan, M.P. Eastwood and M.A. Tusch, J. Phys.: Condens. Matter 10, 2673(1998).

    Article  ADS  Google Scholar 

  16. E. Müller-Hartmann, Z. Phys. B76, 211(1989).

    Article  ADS  Google Scholar 

  17. Th. Pruschke, Th. Obermeier and J. Keller, Physica B223 & 224, 611(1996).

    Article  Google Scholar 

  18. J.C. Slater and G.F. Koster, Phys. Rev. 94, 1498 (1954).

    Article  MATH  ADS  Google Scholar 

  19. O.K. Andersen, Phys. Rev. B 12, 3060(1975); O. Gunnarsson, O. Jepsen, O.K. Andersen, Phys. Rev. B27, 7144(1983).

    Article  ADS  Google Scholar 

  20. S. Sugano, Y. Tanabe and H. Kamimura, Multiplets of Transition-Metal Ions in Crystals, Academic Press (1970).

    Google Scholar 

  21. H. Kajueter, G. Kotliar, Int. J. of Modern Phys. B11, 729(1997).

    Article  ADS  Google Scholar 

  22. K. Held, D. Vollhard, Euro. Phys. J. B5, 473 (1998).

    Article  ADS  Google Scholar 

  23. M. Zölfl, Th. Pruschke, V.I. Anisimov, A.I. Poteryaev and J. Keller, to appear in Phys. Rev. B.

    Google Scholar 

  24. O. Gunnarson, O.K. Andersen, O. Jepsen, J. Zaanen, Phys. Rev. B39, 1708(1989)

    Article  ADS  Google Scholar 

  25. For a comprehensive overview of older work on multi-band systems see e.g. [22].

    Article  ADS  Google Scholar 

  26. T. Mizokawa and A. Fujimori, Phys. Rev. B54, 5368(1996).

    Article  ADS  Google Scholar 

  27. J. Bünnemann, W. Weber and F. Gebhardt, Phys. Rev. B57, 6896 (1998).

    Article  ADS  Google Scholar 

  28. G. Stollhoff and P. Thalmeier, Z. Phys. B43, 13(1981); A.M. Oleś and G. Stollhoff, Phys. Rev. B29, 314(1984); J. Bünnemann and W. Weber, Phys. Rev. B55, 4011(1997).

    Article  ADS  Google Scholar 

  29. V.I. Anisimov, A.I. Poteryaev, M.A. Korotin, A.O. Anokin, G. Kotliar, J. Phys.: Cond. Matter 9, 7359 (1997).

    Article  ADS  Google Scholar 

  30. 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 und G. Kaindl, Phys. Rev. B46, 9841 (1992). (Actually, in this article, the chemical formula of the sample was LaTiO3.03, but the excess of oxygen produces 6% holes, which is equivalent to doping with 6% Sr.)

    Article  ADS  Google Scholar 

  31. Th. Maier, M. Jarrell, Th. Pruschke and J. Keller, Euro. Phys. Journal B13, 613(2000).

    Article  ADS  Google Scholar 

  32. A.P. Ramirez, J. Phys.: Condens. Matter 9, 8171(1997).

    Article  ADS  Google Scholar 

  33. P. Schiffer, A.P. Ramirez, W. Bao and S.-W. Cheong, Aphs. Rev. Lett. 75, 3336 (1995); Y. Tomioka, Y. Asamitsu, H. Kuwahara, Y. Moritomo and Y. Tokura, Phys. Rev. B53, R1689(1996).

    Article  ADS  Google Scholar 

  34. For a definition of the different types of order see e.g. E.O. Wollan and W.C. Koehler, Phys. Rev. 100, 545(1955).

    Article  ADS  Google Scholar 

  35. Y. Murakami, J.P. Hill, D. Gibbs, M. Blume, I. Koyama, M. Tanaka, H. Kawata, T. Arima, Y. Tokura, K. Hirota and Y. Endoh, Phys. Rev. Lett. 81, 582(1998).

    Article  ADS  Google Scholar 

  36. L.E. Feiner and A.M. Oleś, Phys. Rev. B59, 3295(1999).

    Article  ADS  Google Scholar 

  37. A.E. Bocquet, T. Mizukawa, T. Saitoh, H. Namatame, A. Fujimori, Phys. Rev. B 46, 3771 (1992).

    Article  ADS  Google Scholar 

  38. An excellent summary about the Jahn-Teller effect in LaMnO3 is given in: J. Rodríguez-Carvajal, M. Hennion, F. Moussa, A.H. Moudden, L. Pinsard, A. Revcolevschi, Phys. Rev. B57, R3189(1998).

    Article  ADS  Google Scholar 

  39. M. Zölfl et al., to be published.

    Google Scholar 

  40. G. Kotliar, talk given at the 18 th General Conference of the Condensed Matter Division of teh European Physical Society, 13–17 March 2000, Montreux Switzerland.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Bernhard Kramer

Rights and permissions

Reprints and permissions

Copyright information

© 2000 Friedr. Vieweg & Sohn Verlagsgesellschaft mbH

About this paper

Cite this paper

Pruschke, T., Zölfl, M. (2000). Electronic structure and ordered phases in transition metal oxides: application of the dynamical mean-field theory. In: Kramer, B. (eds) Advances in Solid State Physics 40. Advances in Solid State Physics, vol 40. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0108358

Download citation

  • DOI: https://doi.org/10.1007/BFb0108358

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-41576-3

  • Online ISBN: 978-3-540-44560-9

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics