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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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Dissertation

Structure, morphology, optical and electrochemical properties of indium- and aluminum-based nitride thin films deposited by plasma-assisted reactive evaporation / Mahdi Alizadeh Kouzeh Rash

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Intersubband absorption at λ∼1.3 μm in optimized GaN/AlGaN Bragg-confined structures

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Electric Fields and Surface Fermi Level in Undoped GaN/AlN Two-Dimensional Hole Gas Heterostructures

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References
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Journal ArticleDOI

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.
Journal ArticleDOI

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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