Open Access
Valence band splittings and band offsets of AlN, GaN and InN.
Su-Huai Wei,Alex Zunger +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.read more
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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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Band parameters for nitrogen-containing semiconductors
Igor Vurgaftman,Jerry R. Meyer +1 more
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.
Journal ArticleDOI
Growth and applications of Group III-nitrides
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
Maziar Farahmand,Carlo Garetto,Enrico Bellotti,K. F. Brennan,Michele Goano,E. Ghillino,Giovanni Ghione,John D. Albrecht,P. Paul Ruden +8 more
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.
References
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Journal Article
Quantum computing with defects
TL;DR: This work presents a list of physical criteria that deep center defects and their hosts should meet and explains how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems.
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Effects of the narrow band gap on the properties of InN
Junqiao Wu,Junqiao Wu,Wladek Walukiewicz,W. Shan,Kin Man Yu,Joel W. Ager,Eugene E. Haller,Eugene E. Haller,Hai Lu,William J. Schaff +9 more
TL;DR: In this article, infrared reflection experiments were performed on wurtzite InN films with a range of free-electron concentrations grown by molecular-beam epitaxy, and the results showed a pronounced increase in the electron effective mass with increasing electron concentration, indicating a nonparabolic conduction band in InN.
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Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN
Patrick Rinke,Momme Winkelnkemper,Abdallah Qteish,Dieter Bimberg,Jörg Neugebauer,Matthias Scheffler +5 more
TL;DR: In this paper, the authors derived consistent sets of band parameters such as band gaps, crystal field splittings, band-gap deformation potentials, effective masses, and Luttinger and EP parameters for AlN, GaN, and InN in the zinc-blende and wurtzite phases employing many-body perturbation theory in the G0W0 approximation.
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Band bowing and band alignment in InGaN alloys
TL;DR: In this paper, the authors used density functional theory calculations with the HSE06 hybrid exchange-correlation functional to investigate InGaN alloys and accurately determine band gaps and band alignments.
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First-principles study on electronic and elastic properties of BN, AlN, and GaN
TL;DR: In this article, the first-principles total energy calculations were carried out to investigate the electronic and elastic properties of both zinc-blende and wurtzite BN, AlN, and GaN.