摘要: The ground state and lowest-lying excited states of polydiacetylene chains are investigated using a tight-binding Hamiltonian which includes electron-phonon interactions but does not explicitly include electron-electron repulsion. parameters the model obtained by comparison with experiment character properties low-lying charge determined. This calculation shows that localised polaron will dominate conduction in these systems. In contrast to situation for polyacetylene, bipolaron stable polydiacetylenes. Moreover, they so strongly bound may survive inclusion
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