Wente Li, UT-Austin

"First principle investigations of transition metal oxides and electronic structure of the interface’s physics in heterojunctions"

Abstract: By using Density Functional Theory (DFT), we will investigate the interface’s physics in heterojunctions. I mainly focus on two different heterojunctions. The first heterojunction is silicon-europium monoxide. We study the atomic structure of the interface as well as electronic structure. By doing so, we hope to get the valance band offset and then get the band alignment picture, which is helpful for spintronics application. The second heterojunction is SrTiO3-BaTiO3. We are trying to study the effects from the ferroelectricity polarization of the materials.