Journal of Chemical Physics, Vol.121, No.17, 8602-8610, 2004
High T-g photorefractive polymers: Influence of the chromophores' beta tensor
In this paper we study the effect of the chromophores' beta tensor active components on the diffraction efficiency of a high T-g photorefractive polymer. In particular, we study the two simplest structures with nonvanishing dipole moment, the one-dimension push-pull systems, and the Lambda-shaped chromophores. We have developed a model that relate the diffraction efficiency expression with experimental conditions and microscopic properties of the molecules used. Using this model we determine the optimum experimental conditions for both kinds of chromophores and the criteria for the design of chromophores with improved microscopic properties. The model was also used to evaluate the diffraction efficiency of the chromophore Disperse Red 1 (DR1) with a good agreement with experimental data present in bibliography, and of other chromophores selected with the criteria derived from the model, using quantum mechanical calculations to obtain the microscopic properties. Using the designed chromophores diffraction efficiencies more than one order of magnitude higher than that calculated for DR1 with the experimental conditions has been obtained in simulations. These chromophores also exhibit a low dependency of eta on the electric field polarization in contrast to the DR1 or the low T-g photoreactive materials. (C) 2004 American Institute of Physics.