A. Franceschetti et A. Zunger, Pseudopotential calculations of electron and hole addition spectra of InAs, InP, and Si quantum dots, PHYS REV B, 62(4), 2000, pp. 2614-2623
The electron and hole addition energies, the quasiparticle gap, and the opt
ical gap of InAs, InP, and Si quantum dots an calculated using microscopic
pseudopotential wave functions. The effects of the dielectric mismatch betw
een the quantum dot and the surrounding material are included using a reali
stic profile for the dielectric constant epsilon(r). We find that the addit
ion energies and the quasiparticle gap depend strongly on the dielectric co
nstant of the environment epsilon(out), while the optical gap is rather ins
ensitive to epsilon(out). We compare our results with recent tunneling spec
troscopy measurements for InAs nanocrystals, finding excellent agreement. O
ur calculations for the addition energies and the quasiparticle gap of InP
and Si nanocrystals serve as predictions for future experiments.