Dash logoUC Merced logo

CoreShellShell, a quantum dot excitonic energy and charge density calculator

Citation

Kelley, Anne (2017), CoreShellShell, a quantum dot excitonic energy and charge density calculator, UC Merced Dash, Dataset, https://doi.org/10.6071/M3Z07D

Abstract

This program calculates electron and hole charge distributions for a spherical semiconductor quantum dot that may have up to

three different materials in concentric shells (core-barrier-shell), each with different valence and/or conduction band potentials.

It calculates the four lowest s-type (zero angular momentum) electron wavefunctions and the eight lowest s-type hole

wavefunctions using the effective mass approximation particle in a sphere model. It then uses the excitons produced from these

pairs of single-particle wavefunctions as a basis set for a configuration interaction calculation of the electron-hole interaction

energy, resulting in final electron and hole densities and state energies.