Green's matrix calculations of the interface states of alternating trans polyacetylene-polytetrafluoroethylene and polyethylene-polytetrafluoroethylene chains

A self-consistent Green's matrix formalism is used for determining the new states arising in two pairs of quasi-one-dimensional systems, namely alternating trans polyacetylene-polytetrafluoroethylene and polyethylene-polytetrafluoroethylene, due to the mutual interface interactions between the members of each pair. The band structures of the interacting polymers are obtained by an ab initio SCF LCAO technique using sophisticated wavefunctions and a large number of neighbours. A discussion of the properties of the interface states is presented with special emphasis on the new states occurring in the gaps between the valence and conduction bands of each chain.