About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Energy Technology 2027: Advancement in Energy Materials - Theory, Simulation, Characterization and Application
|
| Presentation Title |
Unravelling the Kinetics of Planar Precipitation in Mg-doped GaN Films |
| Author(s) |
Priyanshu Asthana, Peng Geng, Jamie Marian |
| On-Site Speaker (Planned) |
Priyanshu Asthana |
| Abstract Scope |
Heavy Mg doping is required to achieve p-type conductivity in GaN for high-performance power electronic and optoelectronic devices, but it also promotes the formation of Mg-rich polarity inversion domains (PIDs) that limit hole conductivity. Although PIDs have been widely observed experimentally, the mechanisms governing their nucleation and growth remain inadequately understood. In this work, a lattice kinetic Monte Carlo (KMC) model parameterized using first-principles calculations is used to investigate the kinetics of PID formation in Mg-doped GaN. The simulations capture Mg diffusion and clustering over experimentally relevant time scales, enabling a systematic study of how experimtental variables influence defect nucleation and growth. The results establish quantitative relationships between processing conditions and PID formation kinetics, providing atomistic insight into experimentally observed trends and a predictive framework for optimizing processing conditions in Mg-doped GaN for energy-related electronic applications. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Energy Conversion and Storage |