The effect of oxygen vacancies and their migrations on the dielectric responses of BaTiO3 (BT) ceramics and (Ba, Ca)(Ti, Zr)O3 (BCTZ) ceramics was studied using wideband dielectric spectroscopy. Both dipole and ionic polarization of BT ceramics after annealing in a reducing atmosphere markedly decreased. To elucidate the decrease of dipole and ionic polarization, we observed the domain width and the crystal structure of BT ceramics annealed in different PO2. The mass fractions of constituted phases in 90o domain were calculated using the refinement of XRD patterns to explain the degradation of ionic polarization by oxygen vacancies. From the results above, we judged that the decrease of dipole polarization was due to the domain wall clamping by oxygen vacancies, while that of ionic polarization was attributable to the lattice hardening by the incorporation of oxygen vacancies into the BT lattice. In the case of BCTZ ceramics, dipole polarization showed the same way as BT ceramics with annealing conditions but the ionic polarization was independent of PO2 in annealing because of anti-reducing behavior of BCTZ ceramics. On the basis of the effect of oxygen vacancy in BT ceramics and BCTZ ceramics, we could clarify the oxygen vacancy migration in BCTZ ceramics under high direct-current voltage (DCV).
Effect of oxygen vacancy on the adsorption of O2 on anatase TiO2(001): A DFT-based study
