Electronic structure of a model nanocrystalline/amorphous mixed-phase silicon

Electronic states of a model of nanocrystalline phase Si surrounded by amorphous phase Si are studied. a Monte Carlo calculation followed by an empirical pseudopotential calculation is performed for obtaining the electronic states of the model structure containing up to 1000 atoms. The ratios of the local density of states within the nanocrystalline phase to the total density of states are found to be inhomogeneous depending on the energy and are larger than the ratio of the number of atoms in the nanocrystalline phase in the energy region between -1 and -4 eV, and 2 and 5 eV, where the optical transitions mainly take place.