Electronic states and curved surface effect of silicon quantum dots

Abstract

The calculation results show that the bonding energy and electronic states of silicon quantum dots (Si QDs) are different on various curved surfaces (CS), for example, a Si-O-Si bridge bond on curved surface provides the localized levels in band gap and its bonding energy is shallower than that on facet. Curved surface breaks symmetrical shape of silicon quantum dots on which some bonds can produce localized electronic states in band gap. The red-shifting of photoluminescence spectra on smaller silicon quantum dots can be explained by CS effect. In CS effect, surface curvature is determined by the shape of Si QDs or silicon nanostructures, which is independent of their sizes. The CS effect has the interesting fundamental physical properties in nanophysics as that of quantum confinement effect.