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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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Pressure-induced non-linear optical properties in a wurtzite GaN/Al x Ga1− x N strained quantum dot

TL;DR: In this article, the effects of pressure and geometrical confinement on the optical properties of a GaN/Al x Ga1/Al/N dot were investigated using a variational procedure within the framework of single-band effective mass approximation.

Topics on the theory of electron spins in semiconductors

TL;DR: In this article, a model that includes both localized and itinerant spins and their interaction successfully explains the observed phenomena is applied to certain quasi-two-dimensional structures of the same crystal type, when the exciton and exciton-bound-donor spin species are introduced.
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Mid-infrared intersubband absorption in strain-balanced non-polar (In)AlGaN/InGaN multi-quantum wells

TL;DR: In this article, the mid-infrared intersubband transitions in strain-balanced m-plane (In)AlxGa1-xN/In0.16Ga0.84N (0.19≤x≤0.3) multi-quantum wells are reported for the first time in the range of 3.4-5.1 µm (244-360 meV).
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Origin of carrier localization on two-dimensional GaN substitution layers embedded in GaAs

TL;DR: In this article, the electronic properties of GaAs containing a two-dimensional GaN substitution layer are studied by means of the empirical pseudopotential method in a periodic modeling approach.
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GaN-BASED LASER DIODES

TL;DR: In this paper, the state-of-the-art and fundamental issues of InGaN-based light-emitting diodes and laser diode design are discussed, and the correlation of photoluminescence and optical pumping has shown that band-to-band or shallow donor-related bandtail to valence band transition is the necessary mechanism of lasing in GaN.
References
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Band parameters for III–V compound semiconductors and their alloys

TL;DR: In this article, the authors present a comprehensive, up-to-date compilation of band parameters for the technologically important III-V zinc blende and wurtzite compound semiconductors.
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TL;DR: In this paper, the bandgap of InN was revised from 1.9 eV to a much narrower value of 0.64 eV, which is the smallest bandgap known to date.
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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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