Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers

N. Olivi-Tran; A. Ferchichi; S. Calas; P. Etienne

paper

Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers

arXiv:0811.1487

Abstract

We computed by a modified tight binding approximation, the total electronic energy of three different hybrid polymers: $H - S i O_{2}$ , $C H_{3} - S i O_{2}$ and $C_{6} H_{5} - S i O_{2}$ . We made the hypothesis that the structures of these polymers are amorphous. Computational results regarding the total electronic energy and experimental data \cite{ferchichi} on the toughness of these three hybrid polymers were compared. A good qualitative agreement was found between computations and experiments.

10 pages 2 tables 3 figures