Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots

We present an atomistic investigation of the influence of strain on the electronic properties of quantum dots (QD's) within the empirical sp³s* tight-binding (ETB) model with interactions up to second nearest neighbors and spin-orbit coupling. Results for the model system of capped pyramid-shaped InAs QD's in GaAs, with supercells containing ~10⁵ atoms are presented and compared with previous empirical pseudopotential results. The good agreement shows that ETB is a reliable alternative for an atomistic treatment. The strain is incorporated through the atomistic valence-force field model. The ETB treatment allows for the effects of bond length and bond angle deviations from the ideal InAs and GaAs zinc-blende structure to be selectively removed from the electronic-structure calculation, giving quantitative information on the importance of strain effects on the bound-state energies and on the physical origin of the spatial elongation of the wave functions. Effects of dot-dot coupling have also been examined to determine the relative weight of both strain field and wave-function overlap.