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Theory of vibrationally inelastic electron transport through molecular bridges

2003/12/31 by M. Čı́žek, Martin Cizek, Michael Thoss +1 · 5 citations
Engineering · Physics and Astronomy · #Mechanical and Optical Resonators #Molecular Junctions and Nanostructures #Quantum and electron transport phenomena #cond-mat.mes-hall

paper · pdf · doi:10.1103/physrevb.70.125406

Submited to PRB, revised version according to comments of referees (minor text changes and new citations)

arxiv created 2004/04/23 · openalex publication_date 2004/09/08 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular junction. Employing methods from electron-molecule scattering theory, the transmittance through the molecular bridge can be evaluated numerically exactly. The current through the junction is obtained approximately using a Landauer-type formula. Considering different parameter regimes, which include both the case of a molecular bridge that is weakly coupled to the leads, resulting in narrow resonance structures, and the opposite case of a broad resonance caused by strong interaction with the leads, we investigate the characteristic effects of coherent and dissipative vibrational motion on the electron transport. Furthermore, the validity of widely used approximations such as the wideband approximation and the restriction to elastic transport mechanisms is investigated in some detail.

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