Predicting Electronic Properties at Metal-Oxide Interfaces

In high-power electronic applications, electric contacts between components have a strong impact on device efficiency. Predicting the electronic properties at these contacts could greatly facilitate device design and fabrication but such predictions have remained challenging. In this work, plausible interfacial structures between Ga2O3 and different metals and oxides are found using structure matching. The local density of state of these structures is then calculated in order to identify interfacial states in the band gap. From this analysis, the type of electrical contact (ohmic or schottky) at the interface and other important electronic properties can be predicted. This methodology provides a potential pathway to theory guided high-power electronic device engineering.