Advertisement
Published in:
01-01-2011
Dielectric properties of organosilicons from first principles
Published in: Journal of Materials Science | Issue 1/2011
Log inActivate our intelligent search to find suitable subject content or patents.
Select sections of text to find matching patents with Artificial Intelligence. powered by
Select sections of text to find additional relevant content using AI-assisted search. powered by
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).