Thin film devices are one avenue to achieving precise control of material properties for oxide electronics and renewable energy technology. The properties of nanometer-scale films can differ drastically from the bulk, including film geometry, electronic structure and magnetic ordering. New physical phenomena can occur at interfaces that do not occur in the bulk phases of either the substrate or film.
We are using first-principles calculations to study thin films of first-row transition metal perovskite oxides, including the electronic structure at the substrate-film interface and how the properties mentioned above change when compared to the bulk material. We are also investigating the effects of cation intermixing and other interface defects on interfacial electronic structure.