Dresden 2026 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 10: 2D Materials II – Electronic and transport properties (joint session HL/TT)
HL 10.6: Talk
Monday, March 9, 2026, 16:15–16:30, POT/0081
First-Principles Investigation of Electronic Transport in 2D GaSe: Backward Diodes, p-i-n FETs, and Double-Gate MOSFETs — •Dogukan Hazar Ozbey and Engin Durgun — UNAM - National Nanotechnology Research Center and Institute of Materials Science and Nanotechnology, Bilkent University, Ankara, Turkey
In this study, we present a comprehensive first-principles investigation of charge transport in monolayer GaSe nanodevices by combining density functional theory with the nonequilibrium Green’s function (DFT + NEGF) formalism. Three representative architectures, namely p–n junctions, p–i–n field-effect transistors (FETs), and double-gate MOSFETs, are systematically analyzed. Our calculations reveal that GaSe p–n junctions display an unconventional backward diode response, in which reverse currents within the ± 1 V window exceed forward currents owing to tunneling-assisted transport, as evidenced by the projected local density of states. When configured as p–i–n FETs, electrostatic gating allows selective control over tunneling conduction. Moderate gate biases suppress the reverse current, whereas stronger gating reactivates and amplifies it. Finally, double-gate GaSe MOSFETs with channel lengths of approximately 5 nm exhibit competitive figures of merit that meet or surpass the ITRS-2028 high-performance benchmarks, achieving an on/off ratio of 1.2 × 104, intrinsic delay time of 0.24 ps, and power–delay product of only 0.06 fJ·µm−1. Our results highlight GaSe as a single 2D semiconductor capable of integrating backward-diode behavior with high-speed transistor operation.
Keywords: Two-dimensional semiconductors; Density functional theory (DFT); Nonequilibrium Green’s function (NEGF); Quantum Transport; Atomic-scale device simulation