Transient dynamics in interacting nanojunctions within self-consistent perturbation theory

Souto, Rubén Seoane; Avriller, Rémi; Yeyati, A. Levy; Martín‐Rodero, A.

doi:10.1088/1367-2630/aad99d

Cited by 18 publications

(13 citation statements)

References 117 publications

(202 reference statements)

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“…(4) to (9) are the basis of our approach. We solve them numerically, after discretizing the Keldysh contour 28,46 . Within RPA, taking into account only Σ XC,χ in Eq.…”

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confidence: 99%

Buildup of vibron-mediated electron correlations in molecular junctions

et al. 2019

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We investigate on the same footing the time-dependent electronic transport properties and vibrational dynamics of a molecular junction. We show that fluctuations of both the molecular vibron displacement and the electronic current across the junction undergo damped oscillations towards the steady-state. We assign the former to the onset of electron tunneling events assisted by vibronemission. The time-dependent build-up of electron-hole correlations is revealed as a departure of the charge-transfer statistics from the generalized-binomial one after a critical time tc. The phonon-back action on the tunneling electrons is shown to amplify and accelerate this build-up mechanism.

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“…(4) to (9) are the basis of our approach. We solve them numerically, after discretizing the Keldysh contour 28,46 . Within RPA, taking into account only Σ XC,χ in Eq.…”

mentioning

confidence: 99%

Buildup of vibron-mediated electron correlations in molecular junctions

et al. 2019

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“…For this task, we extend to the superconducting case, the self-consistent formalism introduced in Refs. [94,95], describing the formation of the Kondo resonance at the Fermi level for metallic electrodes. The method is based on a time discretization of the non-equilibrium Green functions (NEGFs) [96][97][98][99].…”

Section: Non-equilibrium Green Functionsmentioning

confidence: 99%

Transient dynamics of a magnetic impurity coupled to superconducting electrodes: exact numerics versus perturbation theory

Souto,

Feiguin,

Martín-Rodero

et al. 2021

Preprint

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Impurities coupled to superconductors offer a controlled platform to understand the interplay between superconductivity, many-body interactions, and non-equilibrium physics. In the equilibrium situation, local interactions at the impurity induce a transition between the spin-singlet to the spindoublet ground state, resulting in a supercurrent sign reversal (0 − π transition). In this work, we apply the exact time-dependent density matrix renormalization group method to simulate the transient dynamics of such superconducting systems. We also use a perturbative approximation to analyze their properties at longer times. These two methods agree for a wide range of parameters. In a phase-biased situation, the system gets trapped in a metastable state characterized by a lower supercurrent compared to the equilibrium case. We show that local Coulomb interactions do not provide an effective relaxation mechanism for the initially trapped quasiparticles. In contrast, other relaxation mechanisms, such as coupling to a third normal lead, make the impurity spin relax for parameter values corresponding to the equilibrium 0 phase. For parameters corresponding to the equilibrium π phase the impurity converges to a spin-polarized stationary state. Similar qualitative behavior is found for a voltage-biased junction, which provides an effective relaxation mechanism for the trapped quasiparticles in the junction.

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“…[502][503][504][505] Other works perform the time discretization directly on the Keldysh contour. [506][507][508][509] To perform long-time simulations at better computational scaling, approximations can be used. For example, the generalized Kadanoff-Baym ansatz (GKBA) and other semianalytical ideas have been used.…”

Section: E Time-dependent Processes With Green's Functionsmentioning

confidence: 99%

Green’s function methods for single molecule junctions

Cohen

Galperin

2020

J. Chem. Phys.

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We present a brief pedagogical review of theoretical Green's function methods applicable to open quantum systems out of equilibrium in general, and single molecule junctions in particular. We briefly describe experimental advances in molecular electronics, then discuss different theoretical approaches. We then focus on Green's function methods. Two characteristic energy scales governing the physics are many-body interactions within the junctions, and molecule-contact coupling. We therefore discuss weak interactions and weak coupling, as two limits that can be conveniently treated within, respectively, the standard nonequilibrium Green's function (NEGF) method and its many-body flavors (pseudoparticle and Hubbard NEGF). We argue that the intermediate regime, where the two energy scales are comparable, can in many cases be efficiently treated within the recently introduced superperturbation dual fermion approach. Finally, we review approaches for going beyond these analytically accessible limits, as embodied by recent developments in numerically exact methods based on Green's functions. arXiv:2001.06008v2 [cond-mat.mes-hall]

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Transient dynamics in interacting nanojunctions within self-consistent perturbation theory

Cited by 18 publications

References 117 publications

Buildup of vibron-mediated electron correlations in molecular junctions

Buildup of vibron-mediated electron correlations in molecular junctions

Transient dynamics of a magnetic impurity coupled to superconducting electrodes: exact numerics versus perturbation theory

Green’s function methods for single molecule junctions

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