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Valence band splittings and band offsets of AlN, GaN and InN.

Su-Huai Wei, +1 more
TLDR
In this article, first principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal field splitting parameters ΔCF of −217, 42, and 41 meV, respectively.
Abstract
First‐principles electronic structure calculations on wurtzite AlN, GaN, and InN reveal crystal‐field splitting parameters ΔCF of −217, 42, and 41 meV, respectively, and spin–orbit splitting parameters Δ0 of 19, 13, and 1 meV, respectively. In the zinc blende structure ΔCF≡0 and Δ0 are 19, 15, and 6 meV, respectively. The unstrained AlN/GaN, GaN/InN, and AlN/InN valence band offsets for the wurtzite (zinc blende) materials are 0.81 (0.84), 0.48 (0.26), and 1.25 (1.04) eV, respectively. The trends in these spectroscopic quantities are discussed and recent experimental findings are analyzed in light of these predictions.

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Citations
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Monte Carlo simulation of electron transport in the III-nitride wurtzite phase materials system: binaries and ternaries

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References
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Effect of thermal annealing on high indium content InGaN/GaN single quantum well structures

TL;DR: In this paper, high-indium-content InxGa1−xN/GaN single quantum well (SQW) structures (x⩾32%) grown by low-pressure metalorganic chemical vapor deposition were studied.
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Electron and hole stability in GaN and ZnO.

TL;DR: Thermodynamic doping limits of GaN and ZnO are assessed on the basis of point defect calculations performed using the embedded cluster approach and employing a hybrid non-local density functional for the quantum mechanical region, which is consistent with the efficacy of electron conduction in these materials.
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Performance improvement of AlGaN-based deep-ultraviolet light-emitting diodes by inserting single spike barriers

TL;DR: In this paper, the characteristics of AlGaN-based deep-ultraviolet light-emitting diodes (DUV-LEDs) with inserted single spike barriers have been investigated simulation approach yields a result that, the internal quantum efficiency (IQE), light output power (LOP) and efficiency droop were remarkably improved compared to those with conventional AlgaN multiple quantum wells (MQWs) structures.
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Valence-band discontinuities between InGaN and GaN evaluated by capacitance-voltage characteristics of p-InGaN/n-GaN diodes

TL;DR: In this paper, the capacitance-voltage characteristics of p-InGaN/n-GaN heterojunction diodes with high hole concentrations in p-inGaN were evaluated using capacitance voltages.
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Impact of cation-based localized electronic states on the conduction and valence band structure of Al1-xInxN alloys

TL;DR: In this paper, the authors demonstrate that localized states strongly perturb the band structure of Al1−xInxN, leading to a strong band gap bowing at low In content.
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