About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thin Films and Coatings: Properties, Processing and Applications
|
| Presentation Title |
Theoretical-Experimental Probe Into the Early Stage of AlN/Si Epitaxy |
| Author(s) |
Roman Groger, Jan Fikar, Nhu Quynh Thi Tran, Tomas Janega |
| On-Site Speaker (Planned) |
Roman Groger |
| Abstract Scope |
Threading dislocations severely limit the performance of AlN/Si electronic devices, yet their nucleation mechanisms during early growth stages remain poorly understood. By integrating large-scale atomistic simulations with direct molecular beam epitaxy (MBE) growth experiments, we reveal the impacts of charge transfer and long-range electrostatic forces on the growth morphology. The simulations are based on our recently developed atomistic model that treats charges and charge transfer self-consistently with atomic positions. The results unveil previously hidden physics that strongly influences the conditions at the interface between the AlN film and Si substrate. These insights enable targeted manipulation of MBE growth conditions to actively suppress threading dislocation nucleation in high-mismatch III-nitride heterostructures, thus opening new pathways to improved material quality and device performance. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Modeling and Simulation, Nanotechnology |