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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Enhancement of TE polarized light extraction efficiency in nanoscale (AlN)m /(GaN)n (m>n) superlattice substitution for Al-rich AlGaN disorder alloy: ultra-thin GaN layer modulation
Xin-he Jiang,Jun-jie Shi,Min Zhang,Hongxia Zhong,Pu Huang,Yi-min Ding,Tong-jun Yu,Bo Shen,Jing Lu,Xihua Wang +9 more
TL;DR: In this article, the authors investigated the microscopic mechanism of valence band inversion and light polarization in Al-rich AlxGaN alloy using the Heyd-Scuseria-Ernzerhof hybrid functional, local density approximation with 1/2 occupation, and the Perdew-Burke-Ebrahimi functional, in which the spin-orbit coupling effect is included.
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Revisit of the band gaps of rutile SnO 2 and TiO 2 : a first-principles study
TL;DR: In this paper, the authors used first-principles calculations with different levels of computational methods and functionals within the density functional theory to investigate the long-standing band gap problem for SnO2.
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Hole charge localization and band structures of p-doped GaN/InGaN and GaAs/InGaAs semiconductor heterostructures
TL;DR: In this article, the full six-band Luttinger-Kohn Hamiltonian generalized to treat different materials is solved in conjunction with the Poisson equation in a plane-wave representation.
Journal ArticleDOI
Natural band alignments of InN/GaN/AlN nanorod heterojunctions
Cheng-Tai Kuo,Kai-Kuen Chang,Hung-Wei Shiu,Chia-Rong Liu,Lo-Yueh Chang,Chia-Hao Chen,Shangjr Gwo +6 more
TL;DR: In this paper, the authors used cross-sectional scanning photoelectron microscopy and spectroscopy on the nonpolar side-facet of a vertically −c-axis-aligned heterostructurenanorod array.
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Optical consequences of long-range order in wurtzite Al x Ga 1 − x N alloys
S. V. Dudiy,Alex Zunger +1 more
TL;DR: In this paper, the effect of 1:1 long range order on optical properties of alloys is investigated by means of first-principles calculations combined with large-scale atomistic empirical-pseudopotential simulations.
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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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.
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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.