A formula for predicting the effect of Al alloying on interface bonding between alumina and metal

An elemental species that bonds oxide and metal at the interface is crucial to the electric properties of the electronic devices. We have developed a numerical formula for predicting a stable interface bonding species at a metal/alumina interface in our previous study. In this study, we extend this numerical formula for predicting interface bonding between alumina and aluminum-containing metals. The effectiveness of the extended formula was examined by experimental results in references. It was revealed that the prediction by the formula agreed with the results reported in the references. According to the formula, O-terminated interface between pure metal (M) and alumina can be switched to Al-termination by alloying the pure metal with Al metal. The formula uses only basic quantities of pure elements and the formation enthalpy of oxides. Therefore it can be applied for most of metals in the periodic table and is useful for material screening in interface modification.