Design of novel polymers with metallic conductivity: Polyazacetylene and polyboracetylene

Abstract

With a basis on the idea of controlling the number of \ensuremath{\pi} electrons in the polymer skeleton, we have theoretically designed novel polymers, polyazacetylene, and polyboracetylene, that will show metallic conductivity without doping. Examination of the electronic structures of these polymers in planar geometries shows that they have no band gap between the valence and conduction bands.