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Ferroelectric phenomena in CdSnO3: A first-principles studies

  • Magnetism and Ferroelectricity
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Abstract

The phonon spectrum of cubic cadmium metastannate and parameters of the crystal structure of its distorted phases were calculated from first principles within the density functional theory. It is shown that the phonon spectrum and the energy spectrum of the distorted phases in α-CdSnO3 resemble surprisingly the corresponding characteristics of CdTiO3. The ground state of α-CdSnO3 is the ferroelectric Pbn21 phase, the energy gain from the phase transition to this phase from the nonpolar phase Pbnm is ∼30 meV, and the spontaneous polarization is 0.25 C/m2. The analysis of the eigenvector of the ferroelectric mode in α-CdSnO3 and the partial densities of states indicates that the ferroelectric instability in this crystal, which does not contain transition d-element atoms, is associated with the formation of a covalent bonding between Cd and O atoms.

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References

  1. A. J. Smith, Acta Crystallogr. 13, 749 (1960).

    Article  Google Scholar 

  2. I. Náray-Szabó, Naturwiss. 31, 202 (1943).

    Article  ADS  Google Scholar 

  3. R. D. Shannon, J. L. Gillson, and R. J. Bouchard, J. Phys. Chem. Solids 38, 877 (1977).

    Article  ADS  Google Scholar 

  4. I. Morgenstern-Badarau, P. Poix, and A. Michel, C. R. Acad. Sci., ser. IV 258, 3036 (1964).

    Google Scholar 

  5. Z. Tianshu, S. Yusheng, D. Qiang, and F. Huajun, J. Mater. Sci. Lett. 13, 1647 (1994).

    Article  Google Scholar 

  6. Y.-L. Liu, Y. Xing, H.-F. Yang, Z.-M. Liu, Y. Yang, C.-L. Shen, and R.-Q. Yu, Anal. Chim. Acta 527, 21 (2004).

    Article  Google Scholar 

  7. Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology. New Series. Group III (Springer, Berlin, 1986), Vol. 7d1g, p. 178.

  8. F. Golestani-Fard, C. A. Hogarth, and D. N. Waters, J. Mater. Sci. Lett. 2, 505 (1983).

    Article  Google Scholar 

  9. E. N. Myasnikov, R. I. Spinko, E. A. Shalaeva, and T. P. Myasnikova, Ferroelectrics 214, 177 (1998).

    Article  Google Scholar 

  10. V. N. Lebedev, R. V. Kolesova, and E. G. Fesenko, in Crystallization and Properties of Crystals (Novocherkassk Polytechnical Institute, Novocherkassk, 1977), Issue 4, p. 96 [in Russian].

    Google Scholar 

  11. N. V. Prutsakova and Yu. V. Kabirov, Issled. Ross. (Élektron. Zh.) 7, 2402 (2004); http://zhurnal.ape.relarn.ru/articles/2004/226.pdf.

    Google Scholar 

  12. X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002).

    Article  Google Scholar 

  13. J. P. Perdew and A. Zunger, Phys. Rev. B: Condens. Matter 23, 5048 (1981).

    ADS  Google Scholar 

  14. A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B: Condens. Matter 41, 1227 (1990).

    ADS  Google Scholar 

  15. N. J. Ramer and A. M. Rappe, Phys. Rev. B: Condens. Matter 59, 12471 (1999).

    ADS  Google Scholar 

  16. A. I. Lebedev, Fiz. Tverd. Tela (St. Petersburg) 51(2), 341 (2009) [Phys. Solid State 51 (2), 362 (2009)].

    Google Scholar 

  17. A. I. Lebedev, Fiz. Tverd. Tela (St. Petersburg) 51(4), 757 (2009) [Phys. Solid State 51 (4), 802 (2009)].

    Google Scholar 

  18. H. Mizoguchi, H. W. Eng, and P. M. Woodward, Inorg. Chem. 43, 1667 (2004).

    Article  Google Scholar 

  19. N. Sai, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B: Condens. Matter 66, 104108 (2002).

    Google Scholar 

  20. I. L. Botto and E. J. Baran, Z. Anorg. Allg. Chem. 465, 186 (1980).

    Article  Google Scholar 

  21. S. B. Zhang and S.-H. Wei, Appl. Phys. Lett. 80, 1376 (2002).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Moscow State University, Moscow, 119991, Russia

    A. I. Lebedev

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  1. A. I. Lebedev
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Correspondence to A. I. Lebedev.

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Original Russian Text © A.I. Lebedev, 2009, published in Fizika Tverdogo Tela, 2009, Vol. 51, No. 9, pp. 1766–1770.

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Lebedev, A.I. Ferroelectric phenomena in CdSnO3: A first-principles studies. Phys. Solid State 51, 1875–1880 (2009). https://doi.org/10.1134/S1063783409090182

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  • DOI: https://doi.org/10.1134/S1063783409090182

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