Intermittent polaron dynamics: Born-Oppenheimer approximation out of equilibrium

Mozyrsky, Dmitry; Hastings, Matthew B.; Martin, Ivar

doi:10.1103/physrevb.73.035104

Cited by 107 publications

(200 citation statements)

References 16 publications

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“…The fluctuations beyond mean-field approximations were considered in Refs. [141,142] In parallel, the related activity was in the field of single-electron shuttles and quantum shuttles [143,144,145,146,147,148,149,150,151,152,153]. Finally, based on the Bardeen's tunneling Hamiltonian method [154,155,156,157,158] and Tersoff-Hamann approach [159,160], the theory of inelastic electron tunneling spectroscopy (IETS) was developed [161,162,113,114,115,116,163].…”

Section: General Nanoscale Quantum Transport Theorymentioning

confidence: 99%

Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale

Ryndyk

Gutiérrez²,

Song

2009

Springer Series in Chemical Physics

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The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include out-of-equilibrium situations typical for electrical/heat transport as well as to take into account interaction effects in a systematic way. Equilibrium Green function techniques and their extension to non-equilibrium situations via the Keldysh formalism build one of the pillars of current state-of-the-art approaches to quantum transport which have been implemented in both model Hamiltonian formulations and first-principle methodologies. In this chapter we offer a tutorial overview of the applications of Green functions to deal with some fundamental aspects of charge transport at the nanoscale, mainly focusing on applications to model Hamiltonian formulations.

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Section: General Nanoscale Quantum Transport Theorymentioning

confidence: 99%

Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale

Ryndyk

Gutiérrez²,

Song

2009

Springer Series in Chemical Physics

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“…This is the essence of the Franck-Condon "blockade." [10][11][12][13][14] By chemically engineering molecules with strong electron-ion coupling and soft ͑low-frequency͒ vibrational modes one can achieve arbitrarily slow equilibrium switching rates.…”

Section: Introductionmentioning

confidence: 99%

“…11 In this paper, we study the case of "slow" phonons at strong coupling, ⌫ӷ 0 for eV Ͼប 0 . 12,14,[25][26][27] The physical distinction between this case and the one of "fast" phonons, ⌫Ӷ 0 , can be understood in the following way: For fast phonons, every electron tunneling event occurs over many oscillator periods. Thus effectively electrons can only couple to ͑or "measure"͒ the energy ͑i.e., occupation number͒ of the oscillator.…”

Section: Introductionmentioning

confidence: 99%

Self-consistent theory of molecular switching

2008

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We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to substantially different ionic configurations, which can lead to very slow switching between energetically close configurations ͑Franck-Condon blockade͒. Application of transport voltage, however, can drive the molecule far out of thermal equilibrium and thus dramatically accelerate the switching. The tunneling electrons play the role of a heat bath with an effective temperature dependent on the applied transport voltage. Including the transport-induced "heating" self-consistently, we determine the stationary currentvoltage characteristics of the device and the switching dynamics for symmetric and asymmetric devices. We also study the effects of an extra dissipative environment and demonstrate that it can lead to enhanced nonlinearities in the transport properties of the device and dramatically suppress the switching dynamics.

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“…(27) and (28) is that, due to the characteristic features of the Franck-Condon matrix elements, in the strong electron-vibron coupling regime, the tunneling with small changes in m − m ′ is suppressed exponentially. Hence only some selected vibronic states contribute to the tunneling process.…”

Section: Lifetimes and Bistability Of Statesmentioning

confidence: 98%

Vibration induced memory effects and switching in ac-driven molecular nanojunctions

2012

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Abstract. We investigate bistability and memory effects in a molecular junction weakly coupled to metallic leads with the latter being subject to an adiabatic periodic change of the bias voltage. The system is described by a simple Anderson-Holstein model and its dynamics is calculated via a master equation approach. The controlled electrical switching between the many-body states of the system is achieved due to polaron shift and Franck-Condon blockade in the presence of strong electron-vibron interaction. Particular emphasis is given to the role played by the excited vibronic states in the bistability and hysteretic switching dynamics as a function of the voltage sweeping rates. In general, both the occupation probabilities of the vibronic states and the associated vibron energy show hysteretic behaviour for driving frequencies in a range set by the minimum and maximum lifetimes of the system. The consequences on the transport properties for various driving frequencies and in the limit of DC-bias are also investigated.

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Intermittent polaron dynamics: Born-Oppenheimer approximation out of equilibrium

Cited by 107 publications

References 16 publications

Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale

Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale

Self-consistent theory of molecular switching

Vibration induced memory effects and switching in ac-driven molecular nanojunctions

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