Spectral Analysis of Bloch-Like Oscillations in Conjugated Polymers

[Image: see text] We present a spectrum investigation of the behavior of dissociated polarons under high electric fields in conjugated polymers. The study employs the Su-Schrieffer–Heeger model along with nonadiabatic molecular dynamics and frequency-domain analysis methods to analyze the Bloch-like oscillations. It is found that the fundamental frequencies of the current density agree well with the theoretical Bloch frequencies of the perfect crystals. The electron–phonon coupling is a key factor in inducing the deviation between the Bloch-like oscillation behavior in conjugated polymers and that in perfect superlattices. Moreover, the increase in lattice thermal fluctuation is not conducive to the maintenance of Bloch-like oscillation behavior in conjugated polymers.