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Nonequilibrium resonant spectroscopy of molecular vibrons

Dmitry A. Ryndyk·Gianaurelio Cuniberti
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Abstract

Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We have developed a theory which allows to explore this regime via the nonequilibrium Green function formalism. We show that the nonequilibrium resonant spectroscopy is able to determine the energies of molecular orbitals and the spectrum of molecular vibrations. Our results are relevant to scanning tunneling spectroscopy experiments, and demonstrate the importance of the systematic and self-consistent investigation of the effects of the vibronic dynamics onto the transport through single molecules.

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Dmitry A. Ryndyk, Gianaurelio Cuniberti. 2007-01-04. Nonequilibrium resonant spectroscopy of molecular vibrons. https://doi.org/10.1103/physrevb.76.155430

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