Non-Markovian theory of collective plasmon-molecule excitations in nanojunctions combined with classical electrodynamic simulations

We present a pseudoparticle nonequilibrium Green function formalism as a tool to study the coupling between plasmons and excitons in nonequilibrium molecular junctions. The formalism treats plasmon-exciton couplings and intra-molecular interactions exactly, and is shown to be especially convenient for exploration of plasmonic absorption spectrum of plexitonic systems, where combined electron and energy transfers play an important role. We demonstrate the sensitivity of the molecule-plasmon Fano resonance to junction bias and intra-molecular interactions (Coulomb repulsion and intra-molecular exciton coupling). The electromagnetic theory is used in order to derive self-consistent ¯eld-induced coupling terms between the molecular and the plasmon excitations. Our study opens a way to deal with strongly interacting plasmon-exciton systems in nonequilibrium molecular devices.

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