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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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Temperature dependence of excitonic recombination in lateral epitaxially overgrown InGaN/GaN quantum wells studied with cathodoluminescence

TL;DR: In this paper, the optical properties of InGaN quantum wells (QWs) grown on pyramidal GaN mesas prepared by lateral epitaxial overgrowth (LEO) in a metalorganic chemical vapor deposition system were examined with transmission electron microscopy (TEM) and various cathodoluminescence (CL) imaging techniques, including CL wavelength imaging and activation energy imaging.
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Variation of GaN valence bands with biaxial stress and quantification of residual stress

TL;DR: In this article, low-temperature reflectance data on epitaxial GaN thin-film samples covering the widest range of tensile and compressive stress (−3.8-3.5 kbar) was used to explicitly show the nonlinear behavior of the B-A and C-A splittings versus the energy of the A exciton.
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Valence band states and polarized optical emission from nonpolar and semipolar III–nitride quantum well optoelectronic devices

TL;DR: In this paper, the physical background and theoretical analysis of the VB states and polarized optical emission of nonpolar and semipolar structures and discuss their potential impacts on optoelectronic devices are reviewed.
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Point defects in group III nitrides: A comparative first-principles study

TL;DR: In this article, the neutral and charged native point defects (vacancy, interstitial, and antisite defect) in GaN, AlN, and InN were systematically investigated in terms of local geometry relaxation, formation energies, and electronic and diffusion properties.
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, a comprehensive and up-to-date compilation of band parameters for all of the nitrogen-containing III-V semiconductors that have been investigated to date is presented.
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TL;DR: In this article, the chemical and thermal stability of epitaxial nitride films is discussed in relation to the problems of deposition processes and the advantages for applications in high-power and high-temperature devices.
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When group-III nitrides go infrared: New properties and perspectives

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

TL;DR: In this paper, a comprehensive study of the transport dynamics of electrons in the ternary compounds, Al/sub x/Ga/sub 1-x/N and In/sub ng/g/ng/s/n g/n/g n/g 1.x/n, is presented, which includes all of the major scattering mechanisms.
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