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Meeting

2027 TMS Annual Meeting & Exhibition

Symposium

Computational Discovery and Design of Materials

Presentation Title

First-Principles Transport in AlGaN/GaN HEMT-like Interfaces

Author(s)

Viviana Faride Dovale Farelo

On-Site Speaker (Planned)

Viviana Faride Dovale Farelo

Abstract Scope

Gallium nitride (GaN)-based high electron mobility transistors (HEMTs) are promising candidates for next-generation power electronics due to their high breakdown field, high electron mobility, and excellent high-frequency performance. In this work, we develop a first-principles framework to investigate electronic transport in AlGaN/GaN HEMT-like heterostructures. Density functional theory (DFT) calculations are employed to construct passivated polar heterostructures that reproduce the formation of a clean two-dimensional electron gas (2DEG) while eliminating artificial surface states associated with finite slabs. These optimized structures serve as the basis for nonequilibrium transport calculations to obtain current-voltage (I-V) curves. We systematically investigate the influence of Al concentration in the barrier layer, thereby capturing the combined effects of alloy composition and strain on charge confinement and transport.

Proceedings Inclusion?

Planned:

Keywords

Thin Films and Interfaces, Modeling and Simulation, Electronic Materials

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