Pseudopotential calculations of electron and hole addition spectra of InAs, InP, and Si quantum dots

Abstract

The electron and hole addition energies, the quasiparticle gap, and the optical gap of InAs, InP, and Si quantum dots are calculated using microscopic pseudopotential wave functions. The effects of the dielectric mismatch between the quantum dot and the surrounding material are included using a realistic profile for the dielectric constant $\epsilon \left(\mathbf{r}\right).\mathrm{}$ We find that the addition energies and the quasiparticle gap depend strongly on the dielectric constant of the environment ${\epsilon }_{\mathrm{out}},$ while the optical gap is rather insensitive to ${\epsilon }_{\mathrm{out}}.$ We compare our results with recent tunneling spectroscopy measurements for InAs nanocrystals, finding excellent agreement. Our calculations for the addition energies and the quasiparticle gap of InP and Si nanocrystals serve as predictions for future experiments.