Abstract
The electron-density functional method (in the gradient approximation) and the pseudopotential method are used to study the mechanism of ionic conductivity in the cubic phase of zirconia stabilized with magnesium or yttrium. The oxygen-ion migration in the stabilized zirconia is shown to be a two-stage process, which consists in the formation of active oxygen vacancies and in oxygen-ion jumps from one active vacancy to another. The total activation energy of these processes is calculated to be 1.0–1.5 eV, which agrees with experimental data.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
R. Aldebert and J. P. Traverse, J. Am. Ceram. Soc. 68, 34 (1985).
R. J. Ackermann, S. P. Garg, and E. G. Rauth, J. Am. Ceram. Soc. 60, 341 (1977).
R. H. French, S. J. Glass, F. S. Ohuchi, et al., Phys. Rev. B 49, 5133 (1994).
T. H. Etsel and S. N. Flengas, Chem. Rev. 70, 339 (1970).
Y. Suzuki, T. Takahashi, and N. Nagae, Solid State Ionics 3–4, 483 (1981).
P. Aberland and J. F. Baumard, Phys. Rev. B 26, 1005 (1982).
J. Bauerle and J. Hrizo, J. Phys. Chem. Solids 30, 565 (1969).
J. D. Solier, I. Cachadiña, and A. Dominquez-Rodriguez, Phys. Rev. B 48, 3704 (1993).
I. Cachadiña, J. D. Solier, and A. Dominquez-Rodriguez, Phys. Rev. B 52, 10872 (1995).
C. León, M. L. Licia, and J. Santamaria, Phys. Rev. B 55, 882 (1997).
A. Bogicevic, C. Wolverton, G. M. Crosbie, and E. B. Stechel, Phys. Rev. B 64, 014106 (2001).
V. M. Zainullina and V. P. Zhukov, Fiz. Tverd. Tela (St. Petersburg) 43(9), 1619 (2001) [Phys. Solid State 43, 1686 (2001)].
M. Bockstedte, A. Kley, J. Neugebauer, and M. Scheffler, Comput. Phys. Commun. 107, 187 (1997).
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986).
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
M. Fuchs and M. Scheffler, Comput. Phys. Commun. 119, 67 (1999).
F. D. Murnagham, Proc. Natl. Acad. Sci. USA 30, 244 (1944).
C. J. Howard, R. J. Hill, and B. E. Reichert, Acta Crystallogr. B 44, 116 (1988).
K. J. Chang and M. L. Cohen, Phys. Rev. B 30, 4774 (1984).
J. Haines, J. M. Leger, S. Hull, et al., J. Am. Ceram. Soc. 80, 1910 (1997).
O. L. Anderson and P. Andreatch, J. Am. Ceram. Soc. 49, 404 (1966).
C. Proust, Y. Vaills, Y. Luspin, and E. Husson, Solid State Commun. 93, 729 (1995).
W. R. Manning, O. Hunter, Jr., and B. R. Powell, Jr., J. Am. Ceram. Soc. 52, 436 (1969).
V. V. Kharton, E. N. Namovich, and A. A. Vecher, J. Solid Electrochem. 3, 61 (1999).
S. E. Kul’kova and O. N. Muryzhnikova, Physica B (Amsterdam) 192, 284 (1993).
H. Jansen, Phys. Rev. B 43, 7267 (1991).
F. Zandiehnadem, R. A. Murray, and W. Y. Ching, Physica B (Amsterdam) 150, 19 (1988).
L. Soriano, M. Abbate, J. Faber, et al., Solid State Commun. 93, 659 (1995).
G. Stapper, B. Bernasconi, N. Nicoloso, and M. Parinello, Phys. Rev. B 59, 797 (1999).
Author information
Authors and Affiliations
Additional information
__________
Translated from Fizika Tverdogo Tela, Vol. 46, No. 3, 2004, pp. 441–445.
Original Russian Text Copyright © 2004 by Zavodinsky.
Rights and permissions
About this article
Cite this article
Zavodinsky, V.G. The mechanism of ionic conductivity in stabilized cubic zirconia. Phys. Solid State 46, 453–457 (2004). https://doi.org/10.1134/1.1687859
Received:
Issue Date:
DOI: https://doi.org/10.1134/1.1687859