Abstract
In complex perovskite-type oxides, which have been studied as cathode materials, the thermal expansion coefficient (TEC) increases with the increase in the oxygen ionic conductivity. The aim of the present study is to explain such a behavior from a chemical bond point of view. For the perovskite oxides expressed as A1-x A′ x B1-y B′ y O3-δ and ABO3, the ionicity of A‒O and B‒O bonds and the thermal expansion coefficient were evaluated theoretically by using semiempirical methods. It is found that the thermal expansion coefficient and the oxygen ionic conductivity decrease with the increase in the difference of the ionicity between A‒O and B‒O bonds.
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