Abstract
Superionic conductivity is calculated using the Path Probability method1 to show how ionic conductivity of anions 0-- (via the vacancy mechanism of migration) in the anion sublattice is influenced by an order-disorder phase change among non-migrating cations (A and B) in their sublattice. The A and B cations occupy an FCC sublattice, while 0-- and vacancies occupy an interpenetrating SC sublattice. (The overall lattice structure is CaF2 type). Possible examples include Ca0-ZrO2 and Ca0-CeO2. When the cation composition is varied, the FCC sublattice goes from the disordered phase to an A3B type ordered phase. The calculation shows that this phase transition can reflect as a sharp change of the 0-- ionic conductivity in the SC sublattice, although the distribution of anions and vacancies on the SC sublattice itself is not affected by the transition.
The basic cluster used in the Path Probability method is the double tetrahedron of the FCC sublattice in which a pair of the SC sublattice points sit.
Work supported in part by NSF.
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References
H. Sato and R. Kikuchi, J. Chem. Phys. 55, 677 and 702 (1971)
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© 1976 Plenum Press, New York
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Kikuchi, R., Sato, H. (1976). Superionic Conductivity and Order-Disorder Transition. In: Mahan, G.D., Roth, W.L. (eds) Superionic Conductors. Physics of Solids and Liquids. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-8789-7_15
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DOI: https://doi.org/10.1007/978-1-4615-8789-7_15
Publisher Name: Springer, Boston, MA
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