Molecular modeling and synthesis of polymers for use in applications requiring a low-k dielectric

As integrated circuits have become more and more complex and with smaller and smaller feature sizes several limitations have become apparent. One of these is the need for low-k dielectric materials as insulating layers. Recent work has reported promising materials for such insulators that include some fluorinated polymers. These dielectric materials were further improved by introducing porosity into the polymer films. One of the key factors in the dielectric constant of a material is its density. As the polarization of the material is related to the number of bonds, the dielectric constant will scale with the density. In this paper a series of molecular modeling calculations were conducted on various fluorine substituted polymers in order to predict their densities. A surprising result of these calculations was the prediction that some of the polymers would have densities less than 1 g/cm3. One of these polymers was synthesized and the density determined. The calculated density was in extremely good agreement with the experimental density. This paper will present the details of the molecular modeling technique as well as the synthesis and characterization of one of the polymers of interest.