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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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References
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Effect of strain and barrier composition on the polarization of light emission from AlGaN/AlN quantum wells

TL;DR: In this paper, the transition from transverse electric (TE) polarization to transverse magnetic (TM) polarization as the wavelength decreases is investigated for AlGaN-based multi-quantum-well light emitters.
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TL;DR: In this paper, the authors used the tight-binding method to understand the electronic structure of GaInNAs alloys, and used it to derive a modified k?p model for the electronic structures of GaNAs/GaAs heterostructures.
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Band structure nonlocal pseudopotential calculation of the III-nitride wurtzite phase materials system. Part I. Binary compounds GaN, AlN, and InN

TL;DR: In this paper, the authors presented nonlocal pseudopotential calculations based on realistic, effective atomic potentials of the wurtzite phase of GaN, InN, and AlN.
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Effective mass of InN epilayers

TL;DR: In this paper, the authors report on the study of plasma edge absorption of InN epilayers with free electron concentration ranging from 3.5×1017 to 5×1019cm−3.
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Small valence-band offsets at GaN/InGaN heterojunctions

TL;DR: In this paper, the authors investigated the band lineups using first-principles calculations with explicit inclusion of strains and atomic relaxations at the interface and found that the natural valence-band offset between unstrained InN and GaN is 3 eV.
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