Transport through a mixed-valence molecular transistor in the sequential-tunneling regime: Theoretical insight from the two-site Peierls–Hubbard model

Abstract

Transport through a mixed-valence system in the sequential-tunneling region is investigated using the master equation method and a simple two-site Peierls-Hubbard model that includes electron-phonon (e-p) coupling, electron hopping, and electron-electron (e-e) repulsion. The characteristics of Coulomb diamonds in the conductance spectra under three regimes are discussed. In the regime of zero e-p coupling, we found that the widths of Coulomb diamonds are dominated by the competition of electron-hopping and Coulomb repulsion. In the regime of weak and intermediate e-p coupling, by virtue of the normal-mode transformation we found that coupling to the symmetric-mode decreases the widths of Coulomb diamonds. In the regime of strong e-p coupling, an analytical expression for the widths of Coulomb diamonds can be derived using the small polaron transformation. The derived formula provides a new way to estimate e-e interactions and e-p couplings experimentally.