Molecular junctions and molecular motors: Including Coulomb repulsion in electronic friction using nonequilibrium Green's functions

Hopjan, Miroslav; Stefanucci, Gianluca; Perfetto, Enrico; Verdozzi, Claudio

doi:10.1103/physrevb.98.041405

Cited by 35 publications

(41 citation statements)

References 64 publications

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“…Note that inadequacy of mean-field predictions of electronic friction was also shown in Refs. [34,38].…”

Section: Resultsmentioning

confidence: 99%

“…In terms of accounting for interactions within the electronic subsystem, exact considerations were mostly restricted to mean-field level of treatment. Recently, more general exact considerations started to appear capable of taking into account intra-molecular interactions within perturbative diagrammatic expansion in the interactions strengths [38,39]. However, strong intra-system interactions are beyond capabilities of these approaches.…”

Section: Introductionmentioning

confidence: 99%

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Electronic friction in interacting systems

Chen

Miwa

Galperin

2019

The Journal of Chemical Physics

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We consider effects of strong light-matter interaction on electronic friction in molecular junctions within generic model of single molecule nano cavity junction. Results of the Hubbard NEGF simulations are compared with mean-field NEGF and generalized Head-Gordon and Tully approaches.Mean-field NEGF is shown to fail qualitatively at strong intra-system interactions, while accuracy of the generalized Head-Gordon and Tully results is restricted to situations of well separated intramolecular excitations, when bath induced coherences are negligible. Numerical results show effects of bias and cavity mode pumping on electronic friction. We demonstrate non-monotonic behavior of the friction on the bias and intensity of the pumping field and indicate possibility of engineering friction control in single molecule junctions. * migalperin@ucsd.edu arXiv:1904.06781v1 [cond-mat.mes-hall]

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“…Note that inadequacy of mean-field predictions of electronic friction was also shown in Refs. [34,38].…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electronic friction in interacting systems

Chen

Miwa

Galperin

2019

The Journal of Chemical Physics

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“…Assume that the induced potential generated by electrode 1 is U 1 , the induced potential generated by electrode 2 is U 2 , and the induced potential difference between the two electrodes is U 12 ; then, according to the second formula of the Green's function [19,20], we can get:…”

Section: General Model For Weight Function Of Gas-liquid Two-phase Flowmentioning

confidence: 99%

Study on Weight Function Distribution of Hybrid Gas-Liquid Two-Phase Flow Electromagnetic Flowmeter

Jiang

2020

Sensors

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The electromagnetic flowmeter is usually used for single-phase fluid parameter measurement. When the measured fluid is gas-liquid two-phase flow, the geometry of the sensor measurement space will change with the movement of the gas, which will cause measurement errors. The weight function distribution is an important parameter to analyze such measurement errors. The traditional method for calculating the weight function of gas-liquid two-phase flow involves complex dimensional space transformation, which is difficult to understand and apply. This paper presents a new method for calculating the weight function of the gas-liquid two-phase flow electromagnetic flowmeter. Firstly, based on the measurement principle of the electromagnetic flowmeter, a general model of weight function of the gas-liquid two-phase flow electromagnetic flowmeter is built. Secondly, the bubbles in the fluid are regarded as the “isolated” points in the flow field. According to the physical connection between the “field” of the measured fluid and the “source” of the sensor electrode, the Green’s function expression based on gas-liquid two-phase flow is established. Then, combined with the boundary conditions of the measurement space of the electromagnetic flowmeter, the Green’s function is analyzed. Finally, the general model of weight function is solved by using the expression of Green’s function, then the expression of the weight function of the electromagnetic flowmeter is obtained when the measured fluid is hybrid gas-liquid two-phase flow. The simulation results show that the proposed method can reasonably describe the influence of the gas in the measured fluid on the output signal of the sensor, and the experimental results also indirectly prove the rationality of this method.

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“…In recent years, there has been a sustained growth in the interest in different forms of nanomachines. This was boosted by seminal experiments [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 ], the blooming of new theoretical proposals [ 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 ], and the latest developments towards the understanding of the fundamental physics underlying such systems [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 ]. Quantum mechanics has proven to be crucial in the description of a broad family of nanomachines, which can be put together under the generic name of “quantum motors” and “quantum pumps” [ 13 , 46 , 47 , 48 , 49 , 50 , ...…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics and Steady State of Quantum Motors and Pumps Far from Equilibrium

Bustos-Marún

Calvo

2019

Entropy

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In this article, we briefly review dynamical and thermodynamical aspects of different forms of quantum motors and quantum pumps. We then extend previous results to provide new theoretical tools for a systematic study of those phenomena at far-from-equilibrium conditions. We mainly focus on two key topics: (1) The steady-state regime of quantum motors and pumps, paying particular attention to the role of higher-order terms in the nonadiabatic expansion of the current-induced forces.(2) The thermodynamical properties of such systems, emphasizing systematic ways of studying the relationship between different energy fluxes (charge and heat currents, and mechanical power) passing through the system when beyond-first-order expansions are required. We derive a general order-by-order scheme based on energy conservation to rationalize how every order of the expansion of one form of energy flux is connected with the others. We use this approach to give a physical interpretation of the leading terms of the expansion. Finally, we illustrate the above-discussed topics in a double quantum dot within the Coulomb-blockade regime and capacitively coupled to a mechanical rotor. We find many exciting features of this system for arbitrary nonequilibrium conditions: A definite parity of the expansion coefficients with respect to the voltage or temperature biases; negative friction coefficients; and the fact that, under fixed parameters, the device can exhibit multiple steady states where it may operate as a quantum motor or as a quantum pump depending on the initial conditions.

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Molecular junctions and molecular motors: Including Coulomb repulsion in electronic friction using nonequilibrium Green's functions

Cited by 35 publications

References 64 publications

Electronic friction in interacting systems

Electronic friction in interacting systems

Study on Weight Function Distribution of Hybrid Gas-Liquid Two-Phase Flow Electromagnetic Flowmeter

Thermodynamics and Steady State of Quantum Motors and Pumps Far from Equilibrium

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