Multiband effective bond-orbital model for nitride semiconductors with wurtzite structure

Abstract

A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three p-orbitals, localized in the unit cell of the hexagonal Bravais lattice, from which one conduction band and three valence bands are formed. Non-vanishing matrix elements up to second nearest neighbors are taken into account. These matrix elements are determined so that the resulting tight-binding band structure reproduces the known Gamma-point parameters, which are also used in recent kp-treatments. Furthermore, the tight-binding band structure can also be fitted to the band energies at other special symmetry points of the Brillouin zone boundary, known from experiment or from first-principle calculations. In this paper, we describe details of the parametrization and present the resulting tight-binding band structures of bulk GaN, AlN, and InN with a wurtzite structure. As a first application to nanostructures, we present results for the single-particle electronic properties of lens-shaped InN quantum dots embedded in a GaN matrix.

10 pages, 5 figures, two supplementary files

References in corpus (11)

• Eight-band calculations of strained InAs/GaAs quantum dots compared with one, four, and six-band approximations
• Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN
• Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
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• Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
• Interrelation of structural and electronic properties of InGaN/GaN quantum dots using an eight-band k.p model
• Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots
• Tight-Binding model for semiconductor nanostructures
• A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots
• Polarized emission lines from A- and B-type excitonic complexes in single InGaN/GaN quantum dots
• Spin-orbit coupling and crystal-field splitting in the electronic and optical properties of nitride quantum dots with a wurtzite crystal structure

Cited by in corpus (8)

• Influcence of the nuclear electric quadrupolar interaction on the coherence time of hole- and electron-spins confined in semiconductor quantum dots
• Determination of the valence band offset at cubic CdSe/ZnTe type II heterojunctions: A combined experimental and theoretical approach
• Band gap bowing of binary alloys: Experimental results compared to theoretical tight-binding supercell calculations for CdZnSe
• Theory of band gap bowing of disordered substitutional II-VI and III-V semiconductor alloys
• Quantum-Confined Stark Effect in polar and nonpolar Wurtzite InN/GaN Heterostructures: Influence on Electronic Structure and Compensation by Coulomb Attraction
• Multiband tight-binding theory of disordered ABC semiconductor quantum dots: Application to the optical properties of alloyed CdZnSe nanocrystals
• Determination of the Fermi Level Position in Dilute Magnetic Ga${}_{1-x}$Mn${}_x$N Films
• Cylindrical coordinate representation for multiband Hamiltonians