Structural Properties of Hydrogenated Silicon Nanocrystals and Nanoclusters

1 Structural Properties of Hydrogenated Silicon Nanocrystals and Nanoclusters 

The structures of hydrogenated Si nanocrystals and nanoclusters were studied using the empirical tight-binding optimizations and molecular dynamics simulations [88]. It was shown that the structural properties of the hydrogen-saturated Si nanocrystals have little size effect, contrary to their electronic properties. The surface relaxation is quite small in the hydrogen-saturated Si nanocrystals, with a lat- 

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