Abstract
We investigated the effects of neighboring vacancies and their charge state on ion migration in rhombohedral-LaAlO3. Our results show that the oxygen migration energy is greatly influenced by the charge state of the oxygen vacancies, which is attributed to the neutral oxygen vacancy generating a localized electronic state at the vacancy site, while the charged oxygen vacancy has delocalized electronic state. In contrast, the charge state of the vacancy does not influence the migration of cations. Furthermore, we found that cation vacancies around the migrating ion enhance the cation migration, whereas they inhibit oxygen migration.
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