Electron and hole addition energies in PbSe quantum dots

J. M. An, A. Franceschetti, A. Zunger
2007 Physical Review B  
We calculate electron and hole addition energies of PbSe quantum dots using a pseudopotential configuration-interaction approach. We find that ͑i͒ the addition energies are nearly constant for the first eight carriers occupying the S-like shell. ͑ii͒ The charging sequence of the first eight carriers is non-Aufbau, but filling of the P-like single-particle states takes place only after the S-like states are filled. ͑iii͒ The charging spectrum shows bunching-up of all lines as the dielectric
more » ... ant out of the material surrounding the dot increases. At the same time, the addition energies are significantly reduced. ͑iv͒ The calculated optical gap shows a rather weak dependence on out , reflecting a cancellation between electron-hole interaction energies and surface polarization self-energies.
doi:10.1103/physrevb.76.045401 fatcat:owvv2vdkgzdfthkvzbxufnrve4