SIZE DEPENDENCE OF BAND-GAPS IN SILICON NANOSTRUCTURES

The size dependence of the energy band gap for hydrogen saturated sili con clusters, wires and slabs are calculated using all electron densit y functional theory. The hydrogen saturation is considered as a model for a wider band gap insulator enclosing the silicon structures. With this perspective in mind, an effective mass model with finite barriers for both valence and conduction band is found to semiquantatively acc ount for the numerical findings. (C) 1995 American Institute of Physic s.