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Structure and the electronic and magnetic properties of LaTiO3

  • Proceedings of the XIII Feofilov Symposium “Spectroscopy of Crystals Doped by Rare-Earth and Transition-Metal Ions” (Irkutsk, July 9–13, 2007)
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Abstract

A model is proposed for the LaTiO3 compound, which allows for the strong coupling of the lattice, orbital, and magnetic subsystems of this crystal. The interaction of the lattice with the electronic structure of the LaTiO3 compound is described by the vibronic Hamiltonian with the constants calculated using the ab initio Hartree-Fock-Roothaan method with the inclusion of the electron correlations. It is demonstrated that a considerable contribution to the formation of the orbital structure of the LaTiO3 compound is made by the next-nearest neighbors of the Ti3+ ion. The orbital-dependent superexchange interactions in LaTiO3 are described within the Hubbard model and agree well with experiment.

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References

  1. M. Cwik, T. Lorenz, J. Baier, R. Müller, G. André, F. Bourée, F. Lichtenberg, A. Freimuth, R. Schmitz, E. Müller-Hartmann, and M. Braden, Phys. Rev. B: Condens. Matter 68, 060401 (2003).

    Google Scholar 

  2. G. I. Meijer, W. Henggeler, J. Brown, O.-S. Becker, J. G. Bednorz, C. Rossel, and P. Wachter, Phys. Rev. B: Condens. Matter 59, 11832 (1999).

    Google Scholar 

  3. M. W. Haverkort, Z. Hu, A. Tanaka, G. Ghiringhelli, H. Roth, M. Cwik, T. Lorenz, C. Schüßler-Langeheine, S. V. Streltsov, A. S. Mylnikova, V. I. Anisimov, C. de Nadai, N. B. Brookes, H. H. Hsieh, H.-J. Lin, C. T. Chen, T. Mizokawa, Y. Taguchi, Y. Tokura, D. I. Khomskii, and L. H. Tjeng, Phys. Rev. Lett. 94, 056401 (2005).

    Google Scholar 

  4. C. Ulrich, A. Gössling, M. Grüninger, M. Guennou, H. Roth, M. Cwik, T. Lorenz, G. Khaliullin, and B. Keimer, Phys. Rev. Lett. 97, 157401 (2006).

    Google Scholar 

  5. B. Keimer, D. Casa, A. Ivanov, J. W. Lynn, M. Zimmermann, J. P. Hill, D. Gibbs, Y. Taguchi, and Y. Tokura, Phys. Rev. Lett. 85, 3946 (2000).

    Article  ADS  Google Scholar 

  6. G. Khaliullin and S. Maekawa, Phys. Rev. Lett. 85, 3950 (2000).

    Article  ADS  Google Scholar 

  7. M. Mochizuki and M. Imada, Phys. Rev. Lett. 91, 167203 (2003).

    Google Scholar 

  8. M. Mochizuki and M. Imada, New J. Phys. 6, 154 (2004).

    Article  ADS  Google Scholar 

  9. V. Fritsch, J. Hemberger, M. V. Eremin, H.-A. Krug von Nidda, F. Lichtenberg, R. When, and A. Loidl, Phys. Rev. B: Condens. Matter 65, 212405 (2002).

    Google Scholar 

  10. E. Pavarini, S. Biermann, A. Poteryaev, A. I. Lichtenstein, A. Georges, and O. K. Andersen, Phys. Rev. Lett. 92, 176403 (2004).

    Google Scholar 

  11. R. Schmitz, O. Entin-Wohlman, A. Aharony, A. B. Harris, and E. Müller-Hartmann, Phys. Rev. B: Condens. Matter 71, 144412 (2005).

    Google Scholar 

  12. S. V. Streltsov, A. S. Mylnikova, A. O. Shorikov, Z. V. Pchelkina, D. I. Khomskii, and V. I. Anisimov, Phys. Rev. B: Condens. Matter 71, 245114 (2005).

    Google Scholar 

  13. I. V. Solovyev, Phys. Rev. B: Condens. Matter 74, 054412 (2006).

    Google Scholar 

  14. V. V. Iglamov and M. V. Eremin, Fiz. Tverd. Tela (St. Petersburg) 49(2), 221 (2007) [Phys. Solid State 49 (2), 229 (2007)].

    Google Scholar 

  15. M. I. Aroyo, A. Kirov, C. Capillas, J. M. Perez-Mato, and H. Wondratschek, Acta Crystallogr., Sect. A: Found. Crystallogr. 62, 115 (2006).

    Article  Google Scholar 

  16. I. B. Bersuker and V. Z. Polinger, Vibronic Interactions in Molecules and Crystals (Nauka, Moscow, 1983; Springer, New York, 1989).

    Google Scholar 

  17. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. J. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993).

    Article  Google Scholar 

  18. M. W. Schmidt and M. S. Gordon, Annu. Rev. Phys. Chem. 49, 233 (1998).

    Article  Google Scholar 

  19. H. Nakano, J. Chem. Phys. 99, 7983 (1993).

    Article  ADS  Google Scholar 

  20. V. Ya. Mitrofanov, A. E. Nikiforov, and V. I. Cherepanov, Spectroscopy of Exchange Coupled Complexes in Ionic Crystals (Nauka, Moscow, 1985) [in Russian].

    Google Scholar 

  21. K. I. Kugel’ and D. I. Khomskiĭ, Usp. Fiz. Nauk 136, 621 (1982) [Sov. Phys.—Usp. 25 231 (1982)].

    Google Scholar 

  22. T. Moriya, Phys. Rev. 120, 91 (1960).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Gorky Ural State University, pr. Lenina 51, Yekaterinburg, 620083, Russia

    A. A. Mozhegorov, A. E. Nikiforov, A. V. Larin, A. V. Efremov, L. É. Gonchar’ & P. A. Agzamova

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  1. A. A. Mozhegorov
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  2. A. E. Nikiforov
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  3. A. V. Larin
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  4. A. V. Efremov
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  5. L. É. Gonchar’
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  6. P. A. Agzamova
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Correspondence to A. A. Mozhegorov.

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Original Russian Text © A.A. Mozhegorov, A.E. Nikiforov, A.V. Larin, A.V. Efremov, L.É. Gonchar’, P.A. Agzamova, 2008, published in Fizika Tverdogo Tela, 2008, Vol. 50, No. 9, pp. 1724–1727.

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Mozhegorov, A.A., Nikiforov, A.E., Larin, A.V. et al. Structure and the electronic and magnetic properties of LaTiO3 . Phys. Solid State 50, 1795–1798 (2008). https://doi.org/10.1134/S1063783408090400

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