High-symmetry high-stability silicon fullerenes: A first-principles study

It is shown by ab initio calculations that very stable high-symmetry fullerenes of the form Si_nH_n, n=20, 28, 30, 36, 50, and 60, can be formed with large energy gaps suitable for optoelectronic and other applications. Quantum confinement seems to be violated if one neglects the essentially two-dimensional nature of the electron gas. Comparison with similar carbon fullerenes, such as C₂₀H₂₀ and C₆₀H₆₀, reveals full similarity in their electronic and geometrical structures, which is suggestive of possible routes for their synthesis. These silicon fullerenes constitute the best manifestation of carbon and silicon homology.