Abstract
Abstract Theoretical techniques have been used to examine the two models proposed for the defect structure of stabilized zirconias. The first model is based on simple clusters of dopant ions and the charge compensating oxygen vacancies, while the second suggests that fluorite-related microdomains form within the host lattice. We show that the energies of formation of the clusters and microdomains are almost equal, the microdomain being favoured by 0.09 eV per dopant ion. Thus the calculations suggest that both point defects and microdomains may be present, with point defects predominating at low dopant concentration and higher temperatures.
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