TOTAL AND SURFACE-DENSITY OF STATES IN CDS SEMICONDUCTOR CLUSTERS

The total and partial density of states of different symmetries or at different shells in a fairly large CdS cluster (5305 or diameter 63 An gstrom) are presented Different from many other theoretical calculatio ns on semiconductor clusters, which are mainly interested in the behav ior of the near gap states, this work concentrates on the distribution s of all electronic states of different symmetry in the energy space a nd real space. In particular, we found the surface density of states o f the CdS clusters calculated here to strongly depend on whether the s urface atoms of the cluster are Cd atoms. The results reveal some uniq ue features of the behavior of the total electronic states in semicond uctor clusters. (C) 1998 Elsevier Science Ltd. All rights reserved.