G. Czycholl

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

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.

Tight-binding model for semiconductor nanostructures

An empirical

Influence of symmetry and Coulomb correlation effects on the optical properties of nitride quantum dots

{s}_{c}{p}_{a}^{3}

Optical properties of self-organized wurtzite InN∕GaN quantum dots: A combined atomistic tight-binding and full configuration interaction calculation

tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three

Hubbard- U calculations for Cu from first-principle Wannier functions

p

Band gap bowing of binary alloys: Experimental results compared to theoretical tight-binding supercell calculations for CdxZn1-xSe

orbitals at the anions and one

Spin-orbit coupling and crystal-field splitting in the electronic and optical properties of nitride quantum dots with a wurtzite crystal structure

s

Strong dipole coupling in nonpolar nitride quantum dots due to Coulomb effects

orbital at the cations is chosen. Matrix elements up to the second nearest neighbors and the spin-orbit coupling are included in our TB model. The parametrization is chosen so that the effective masses, the spin-orbit splitting and the gap energy of the bulk CdSe and ZnSe are reproduced. Within this reduced

Multiband tight-binding theory of disordered A x B 1- x C semiconductor quantum dots

{s}_{c}{p}_{a}^{3}

Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab initio Hamiltonians

TB basis the valence