Connectivity of Hybrid Polymer by Tight Binding Approximation: Example of (Si(CH_3)_2)_n(OSiO)_p(OH)_q

摘要

We computed by a tight binding calculation taking into account hybridization, the total electronic energy of different connectivities (amorphous, fractal and linear) of (Si-(CH_3)_2)_n-(OSiO)_p(OH)_q. We found that the total electronic energy of the amorphous connectivity was the smallest as a function of the number of atoms contained by the hybrid polymer. As the total electronic energy is linked to the stability, we may say that the connectivity of such hybrid polymer has the highest stability for the amorphous connectivity.