A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots

Abstract

In this work we present a comparison of multiband k.p-models, the effective bond-orbital approach, and an empirical tight-binding model to calculate the electronic structure for the example of a truncated pyramidal GaN/AlN self-assembled quantum dot with a zincblende structure. For the system under consideration, we find a very good agreement between the results of the microscopic models and the 8-band k.p-formalism, in contrast to a 6+2-band k.p-model, where conduction band and valence band are assumed to be decoupled. This indicates a surprisingly strong coupling between conduction and valence band states for the wide band gap materials GaN and AlN. Special attention is paid to the possible influence of the weak spin-orbit coupling on the localized single-particle wave functions of the investigated structure.

References in corpus (12)

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Cited by in corpus (12)

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• Electronic structure of full-shell InAs/Al hybrid semiconductor-superconductor nanowires: Spin-orbit coupling and topological phase space
• Stark effect in GaN/AlN nanowire heterostructures: Influence of strain relaxation and surface states
• 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
• Multiband effective bond-orbital model for nitride semiconductors with wurtzite structure
• Multiband tight-binding theory of disordered ABC semiconductor quantum dots: Application to the optical properties of alloyed CdZnSe nanocrystals
• Electronic structure of semiconductor nanostructures: A modified localization landscape theory
• Theoretical analysis of influence of random alloy fluctuations on the opto-electronic properties of site-controlled (111)-oriented InGaAs/GaAs quantum dots
• Influence of strain relaxation in axial (In,Ga)N/GaN nanowire heterostructures on their electronic properties
• Structure-Related Optical Fingerprints in the Absorption Spectra of Colloidal Quantum Dots: Random Alloy vs. Core/Shell Systems
• Cylindrical coordinate representation for multiband Hamiltonians