About this Abstract |
| Meeting |
MS&T26: Materials Science & Technology
|
| Symposium
|
Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
|
| Presentation Title |
Energetic Contributions to Phase Stability in (AlₓGa₁₋ₓ)₂O₃: A Combined DFT and MOCVD Study |
| Author(s) |
Po-Sen Tseng, Jingyu Tang, Lisa M. Porter, Rachel C. Kurchin |
| On-Site Speaker (Planned) |
Po-Sen Tseng |
| Abstract Scope |
Ga₂O₃ is an ultrawide-bandgap semiconductor that exists in five crystalline phases: the thermodynamically stable β phase and the metastable α, κ (ε), γ, and δ phases, each exhibiting distinct properties and potential applications. Alloying with Al is a promising approach to further widen the bandgap and stabilize the α-Ga₂O₃ phase for advanced electronic and optoelectronic applications. In this work, we investigate the roles of strain, interfacial energy, and surface energy in stabilizing different polymorphs during Al alloying in Ga₂O₃. Density functional theory (DFT) calculations are combined with experimental growth of (AlₓGa₁₋ₓ)₂O₃ using HCl-assisted MOCVD. We examine how these energetic contributions influence phase stability across compositions and assess the correlation between computational predictions and experimental observations. |