Oxygen ion migration in La2CuO4

Abstract
Calculated migration energies for oxygen vacancies and interstitial oxide ions in tetragonal La2CuO4 are reported. These are low and similar in magnitude to those for oxygen vacancy migration in binary oxide systems such as zirconia. An important difference between zirconia and these ternary cuprates, however, is that calculated association energies between divalent cation impurities and oxygen vacancies are much smaller in the latter.