Abstract
Anion and cation vacancy formation energies are calculated at the near interface region of the BaO(100)/MgO(100) interface. Image theory has been shown to correctly calculate the behaviour of vacancies approaching an MgO(100) surface. However, we show it fails to predict the behaviour of vacancies near the BaO(100)/MgO(100) interface. This is attributed to the misfit between the two materials.