Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems

Article

关键词: NEGATIVE DIFFERENTIAL RESISTANCE;    FRANCK-CONDON BLOCKADE;    MOLECULAR JUNCTIONS;    SINGLE-MOLECULE;    TUNNELING SPECTROSCOPY;    CHEMISTRY;    SYSTEMS;    DOTS;   

DOI  :  10.1103/PhysRevB.94.201407

来源: SCIE

【 摘 要 】

Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular, in the off-resonant transport regime, the inelastic cotunneling signal is analyzed for a vibrational mode in full nonequilibrium, revealing a complex interplay of different transport processes and deviations from the commonly used G(0)/2 rule of thumb. In addition, the HQME approach is used to benchmark approximate master equation and nonequilibrium Green's function methods.

【 授权许可】

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