A theoretical study of the influence of the surface on the electronic structure of CdSe nanoclusters

Abstract

The effect of the cluster surface on the ground state electronic properties of CdSe nanoclusters is calculated using a tight-binding method. The calculation of optical matrix elements between selected surface and interior states is described. We find that the density of states is strongly dependent on the nature of the cluster surface and that there is a significant probability of an optical transition into unoccupied surface states. © 1994 American Institute of Physics.