First-principles modeling of resistance switching in perovskite oxide material.

We report a first-principles study on SrRuO₃/SrTiO₃ interface in the presence of the oxygen vacancy. While the oxygen vacancy on the side of SrTiO₃ significantly lowers the Schottky barrier height, the oxygen vacancy close to the interface or inside the metallic electrode results in a Schottky barrier comparable to that of the clean interface. Based on these results, we propose a model for resistance-switching phenomena in perovskite oxide/metal interfaces where electromigration of the oxygen vacancy plays a key role. Our model provides a consistent explanation of a recent experiment on resistance switching in SrRuO₃/Nb:SrTiO₃ interface. [ABSTRACT FROM AUTHOR]