FURI | Summer 2023

Computational Discovery of Novel Wide-Bandgap Semiconductors

This project examines the impact of dopants on the energy and conductivity of Gallium Oxide (Ga2O3) through density functional theory simulations. The lowest energy state likely to exist in nature is sought in combination with the highest conductivity to identify the optimal pairing. The results indicate the potential for customized material design, as specific dopants show promising enhancements in the electrical conductivity of Ga2O3. These findings provide valuable insights for the optimization of Ga2O3-based semiconductors and the advancement of their applications in high-performance electronic devices.