Transferable tight-binding parametrization for the group-III nitrides
- 16 December 2002
- journal article
- Published by AIP Publishing in Applied Physics Letters
- Vol. 81 (25), 4838-4840
- https://doi.org/10.1063/1.1529312
Abstract
We present accurate tight-binding (TB) parametrizations of the quasi-particle band structures of AlN, GaN, and InN, both for the zincblende and wurtzite phases. For this purpose, an empirical sp 3 d 5 s * nearest-neighbor TB model including the spin–orbit interaction is used, ensuring the transferability of the Slater–Koster parameters to changes in the structural environment. The present approach results in excellent agreement with experimental band positions and ab initio calculations for the lowest conduction band and the valence-band splittings. As a first application, we investigate the electronic band structure of an ordered Al 0.5 Ga 0.5 N alloy in the wurtzite phase.This publication has 19 references indexed in Scilit:
- Deposition factors and band gap of zinc-blende AlNJournal of Applied Physics, 2001
- Free-carrier screening of polarization fields in wurtzite GaN/InGaN laser structuresApplied Physics Letters, 1999
- Empiricaltight-binding calculation for cubic semiconductors: General method and material parametersPhysical Review B, 1998
- Effect of in-plane biaxial strains on the band structure of wurtzite GaNPhysical Review B, 1998
- Effective masses and valence-band splittings in GaN and AlNPhysical Review B, 1997
- Valence band splittings and band offsets of AlN, GaN, and InNApplied Physics Letters, 1996
- Electronic Structures of Wurtzite GaN, InN and Their Alloy Ga1-xInxN Calculated by the Tight-Binding MethodJapanese Journal of Applied Physics, 1995
- Quasiparticle band structure of AlN and GaNPhysical Review B, 1993
- GaN, AlN, and InN: A reviewJournal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1992
- Simplified LCAO Method for Zincblende, Wurtzite, and Mixed Crystal StructuresPhysical Review B, 1959