Abstract
The electronic structures in the optimized geometries of polysilacetylene (PS), polysemisilacetylene (PSS), polysilacene (PSA) and polysemisilacene (PSSA), being silicon-substituted versions of polyacetylene and polyacene, are studied on the basis of the one-dimensional tight-binding self-consistent crystal orbital method. It is found that these polymers have band gap values similar to those of ordinary organic conductive polymers. Furthermore, the carbon-silicon bonds have large electron deviation, resulting in considerable degrees of polarization between these atoms. This feature is also discussed in connection with the possible manifestation of ferroelectric properties in PSS and PSSA.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
