Current-induced phonon renormalization in molecular junctions

Bai, Meilin; Cucinotta, Clotilde S.; Jiang, Zhuoling; Wang, Hao; Wang, Yongfeng; Rungger, Ivan; Sanvito, Stefano; Hou, Shimin

doi:10.1103/physrevb.94.035411

Cited by 11 publications

(13 citation statements)

References 52 publications

(50 reference statements)

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“…DFT also demonstrated the linear dependence of the distance between a negatively charged oxygen atom and the supporting graphene sheet on the external electric field [83]. In addition, it was shown on theoretical grounds that a current flowing across nanometresized objects induces the non-equilibrium population of electronic states with a concomitant weakening of intramolecular bonds that leads to a deformation of the molecular object [60,84,85]. Figure 5 summarizes the calculated results considering voltage-dependent relaxations in F LJ .…”

Section: Resultsmentioning

confidence: 86%

Probing relaxations of atomic-scale junctions in the Pauli repulsion range

Brand

Néel

2019

New J. Phys.

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Clean metal as well as C 60 -terminated tips of an atomic force microscope probe the interaction with C 60 molecules adsorbed on Cu(111) and Pb(111). The force measurements unveil a monotonic shift of the point of maximum attraction with the bias voltage. The conventional superposition of long-range van der Waals and electrostatic forces with short-range Pauli repulsion does not reproduce the shift. By phenomenologically including bias-dependent relaxations of the electrode geometry in the analytical expression for the short-range force the experimental data can qualitatively be described.

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Section: Resultsmentioning

confidence: 86%

Probing relaxations of atomic-scale junctions in the Pauli repulsion range

Brand

Néel

2019

New J. Phys.

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“…For concreteness, we give the detailed expressions of the diagrams for a spatially symmetric junction, i.e., Γ L = Γ R = Γ 2 in Eq. (19). Diagram (i) in Fig.…”

Section: Discussionmentioning

confidence: 99%

AC transport and full-counting statistics of molecular junctions in the weak electron-vibration coupling regime

Ueda

Utsumi

Tokura

et al. 2017

The Journal of Chemical Physics

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The coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to nonequilibrium features in the vibrations' properties, e.g., their population, on the other. Here we explore theoretically a generic model for a molecular junction biased by an arbitrary dc voltage in the weak-coupling regime. We analyze the signature of the electron-vibration interaction on the full-counting statistics of the current fluctuations (i.e., the cumulant generating-function of the current correlations); we give a detailed account of the response to an ac field exerted on the junction (on top of the dc bias voltage); we study the nonequilibrium distribution of the vibrational modes and the fluctuations they cause in the displacement of the molecule center of mass. The calculations use the technique of nonequilibrium Green's functions, and treat the electron-vibration coupling in perturbation theory, within the random-phase approximation when required.

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“…From the µ r -expansion of Eq. (22) in the instantaneous force, we notice that its related pseudovector potential can be written as:…”

Section: B Onsager's Reciprocity Relationsmentioning

confidence: 99%

Real-time diagrammatic approach to current-induced forces: Application to quantum-dot based nanomotors

2017

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During the last years there has been an increasing excitement in nanomotors and particularly in current-driven nanomotors. Despite the broad variety of stimulating results found, the regime of strong Coulomb interactions has not been fully explored for this application. Here we consider nanoelectromechanical devices composed by a set of coupled quantum dots interacting with mechanical degrees of freedom taken in the adiabatic limit and weakly coupled to electronic reservoirs. We use a real-time diagrammatic approach to derive general expressions for the current-induced forces, friction coefficients, and zero-frequency force noise in the Coulomb blockade regime of transport. We prove our expressions accomplish with Onsager's reciprocity relations and the fluctuation-dissipation theorem for the energy dissipation of the mechanical modes. The obtained results are illustrated in a nanomotor consisting of a double quantum dot capacitively coupled to some rotating charges. We analyze the dynamics and performance of the motor as function of the applied voltage and loading force for trajectories encircling different triple points in the charge stability diagram.

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Current-induced phonon renormalization in molecular junctions

Cited by 11 publications

References 52 publications

Probing relaxations of atomic-scale junctions in the Pauli repulsion range

Probing relaxations of atomic-scale junctions in the Pauli repulsion range

AC transport and full-counting statistics of molecular junctions in the weak electron-vibration coupling regime

Real-time diagrammatic approach to current-induced forces: Application to quantum-dot based nanomotors

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