Authors: C C Wang R Ramprasad
Publish Date: 2010/08/26
Volume: 46, Issue: 1, Pages: 90-93
Abstract
Density functional perturbation theory calculations have been performed to determine the dielectric constant of Si “doped” polyethylene PE Substitution of C atoms in PE by Si ranging from 0 to 100 has been considered Both the electronic and ionic contributions to the dielectric constant increase with increasing Si content These increases are attributed respectively to enhanced σ conjugation and increased IR vibrational intensity of modes involving Si containing bonds owing to their softness and polarity
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