By calculating the phase shifts of the wave functions for the extended scattering states within tight-binding model for a poly (formula presented)-phenylene vinylene) chain with one conjugation defect, we obtain the exact transmission probability through the defect as a function of the carrier incident energy for the entire eight (formula presented) bands. Cis-defect, (formula presented) saturation, and oxidation are considered. The transmission increases rapidly from zero with the carrier kinetic energy, implying the conjugation breaks do not severely limit the intrachain charge transport under high electric field. Assuming an average conjugation length of 100 Å separated by cis-defects, the drift velocity is predicted to be as high as (formula presented) for field at (formula presented) and over (formula presented) at (formula presented).
|Number of pages||5|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - 1 Jan 2002|