First-principle natural band alignment of GaN / dilute-As GaNAs alloy

Abstract

Density functional theory (DFT) calculations with the local density approximation (LDA) functional are employed to investigate the band alignment of dilute-As GaNAs alloys with respect to the GaN alloy. Conduction and valence band positions of dilute-As GaNAs alloy with respect to the GaN alloy on an absolute energy scale are determined from the combination of bulk and surface DFT calculations. The resulting GaN / GaNAs conduction to valence band offset ratio is found as approximately 5:95. Our theoretical finding is in good agreement with experimental observation, indicating the upward movements of valence band at low-As content dilute-As GaNAs are mainly responsible for the drastic reduction of the GaN energy band gap. In addition, type-I band alignment of GaN / GaNAs is suggested as a reasonable approach for future device implementation with dilute-As GaNAs quantum well, and possible type-II quantum well active region can be formed by using InGaN / dilute-As GaNAs heterostructure.

Advantages of Blue InGaN Light-Emitting Diodes with a Mix of AlGaN and InGaN Quantum Barriers

“…Recent work conducted by Delaney and coworkers indicated that interband Auger recombination contributes considerably to the efficiency droop of InGaN QWs. [29][30][31][32] So the IQE and output power of structure B are the highest due to successful suppression of Auger recombination.…”

III‐Nitride Micro‐LEDs for Efficient Emissive Displays

“…[158][159][160][161][162][163] Figure 6 shows the case of GaN 1 − x As x , where the substantial bandgap reduction occurs with a relatively low As content of x 10% or less. [162][163][164][165][166] Simulations show that using dilute-anion III-nitrides [164,165,167,168] in active regions can enable red emission. [169] Another novel semiconductor approach is to use Er ions in GaN to create redemitting LEDs.…”

Performance Analysis of GaN-Based Light-Emitting Diodes With Lattice-Matched InGaN/AlInN/InGaN Quantum-Well Barriers

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