Tight-binding calculations of the optical properties of Si nanocrystals in a SiO matrix.

We develop an empirical tight binding approach for the modeling of the electronic states and optical properties of Si nanocrystals embedded in a SiO2 matrix. To simulate the wide band gap SiO2 matrix we use the virtual crystal approximation. The tight-binding parameters of the material with the diamond crystal lattice are fitted to the band structure of β-cristobalite.

Thermally stimulated exciton emission in Si nanocrystals.

Increasing temperature is known to quench the excitonic emission of bulk silicon, which is due to thermally induced dissociation of excitons. Here, we demonstrate that the effect of temperature on the excitonic emission is reversed for quantum-confined silicon nanocrystals. Using laser-induced heating of silicon nanocrystals embedded in SiO, we achieved a more than threefold (>300%) increase in the radiative (photon) emission rate.