Role of Nearly-Degenerate Vibrational Modes in Electron Transport through a Molecular Junction
arXiv:2011.06138 · doi:10.1016/j.cocom.2021.e00589
Abstract
We consider an open molecular junction in which electrons are coupled to multi-mode phonons. Using a master equation approach for equilibrated phonons, we show that nearly-degenerate phonon modes can be mapped into an effective single mode, which can result in a noticeable reduction of computational costs. As an illustration, we apply our theory to the OPV-5 molecule and show that we can obtain the consistent conductance spectra while reducing the computational time by orders of magnitude
References in corpus (6)
- Dependence of Single Molecule Junction Conductance on Molecular Conformation
- Tunneling through molecules and quantum dots: master-equation approaches
- Transport in molecular states language: Generalized quantum master equation approach
- Effect of nonadiabatic electronic-vibrational interactions on the transport properties of single-molecule junctions
- Electron-vibron coupling effects on electron transport via a single-molecule magnet
- Light Induced Negative Differential Conductance in Molecular Junctions: Role of Triplet States and Electron-Phonon Interaction