Abstract

Based on a model for size-dependent atomic cohesive energy of nanocrystals, a simple and unified model, without any adjustable parameter, has been established for finite size effect on shifts of valence and conduction band edges [DeltaEV(D) and DeltaEC(D)], and bandgap expansion [DeltaEG(D)| of semiconductor nanocrystals, where Delta denotes the expansion and D is the size of nanocrystals. In the light of this model, DeltaEV(D), DeltaEC(D), and DeltaEG(D) functions increase with dropping D in comparison with the corresponding bulk counterparts. The available experimental results of Si, CdS, ZnSe, and ZnTe nanocrystals confirm the validity of model.

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