Silicon nanoparticles: Their photoluminescence, complex refractive index, and relationship with the band structure

The photoluminescence, IR transmission, and Raman scattering spectra of nc-Si nanocrystals (5 nm in size) have been investigated. The shape and spectral position of maxima in the photoluminescence and IR transmission spectra are theoretically described. It is shown that nc-Si particles consist of a Si core and a SiO₂ shell. The existence of surface Si-O and Si-H states in Si nanocrystals enhances photoluminescence. It is established that the spectral position of the main Raman scattering peak in the frequency range 500–520 cm^?1 undergoes a significant red shift for small-size nanostructures. Based on direct determination of the complex refractive index of n-Si nanoparticles by measuring spectral ellipsometric parameters, nanostructured silicon is found to be an indirect-gap semiconductor.