We are a computational materials group based in the Department of Materials Engineering at Auburn University. Our group is interested in developing a fundamental understanding of the physics and chemistry of materials for clean energy and information technologies. Most of our investigations are based on quantum-mechanical calculations using high-performance computational facilities. We employ various simulation techniques to predict material properties, understand atomic-scale processes, and design novel materials with improved characteristics.
Beneficial role of defect for novel memory devices
Our recent theoretical findings enable novel design of ferroelectric tunnel junctions via appropriate defect engineering. We demonstrated that polar defects are not only responsible for ferroelectricity, but also propel the appearance of highly conductive channels with polarization-controlled resistivity.