Valence band splittings and band offsets of AlN, GaN, and InN

作者：Su‐Huai Wei, Alex Zunger · 发表于：Applied Physics Letters · 年份：1996 · DOI：10.1063/1.117689 · 被引用次数：344 · 研究领域：GaN-based semiconductor devices and materials、Ga2O3 and related materials、Semiconductor materials and devices

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.