Molecular Transport Junctions: Vibrational Effects

Abstract

Introduction (2) Experimental background: Test beds (8) Theoretical approaches: A microscopic model(10) The electron-phonon coupling(14)Time and energy scales(15) Theoretical methods(19)Numerical calculations(28) Incoherent vs. coherent transport (28) Inelastic tunneling spectroscopy: Experimental background(31) Theoretical considerations:the weak coupling limit(36) Theoretical considerations: moderately strong coupling(41)Comparison of approximation schemes(48)Asymmetry in IETS(51)The origin of dips in IETS signals(53)Computational approaches (56) Effects of electron-electron(e-e)interactions (63) Noise (66) Non-linear conductance phenomena (73) Heating and heat conduction: General considerations(77) Heat generation(81) Heat conduction(85) Junction temperature(88) Current induced reactions (91) Summary and outlook (91)

Review. 118 pages, 32 figures

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• Quantum transport through a deformable molecular transistor
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• Inelastic tunneling through mesoscopic structures
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• Quantum limited sensitivity of SET-based displacement detectors
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• Semiclassical analysis of the Nonequilibrium Local Polaron
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• Conduction in molecular junctions: Inelastic effects
• Shot noise control in ac-driven nanoscale conductors
• Cotunneling and renormalization effects for the single-electron transistor
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• Electronic Transport in Fullerene C20 Bridge Assisted by Molecular Vibrations
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• The charge shuttle as a nanomechanical ratchet
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• Coherent effects in magneto-transport through Zeeman split levels
• Shot Noise of a Tunnel Junction Displacement Detector
• Statistics of Heat Transfer in Mesoscopic Circuits
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• Electrical transport through a single-electron transistor strongly coupled to an oscillator
• Non-equilibrium Kondo effect in asymmetrically coupled quantum dot
• Magnetoconductance through a vibrating molecule in the Kondo regime
• Nonequilibrium Fluctuations and Decoherence in Nanomechanical Devices Coupled to the Tunnel Junction
• Conductance of deformable molecules with interaction
• Statistics of charge transfer in a tunnel junction coupled to an oscillator
• A new perturbation treatment applied to the transport through a quantum dot
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• Theory of high bias Coulomb Blockade in ultrashort molecules
• Inelastic effects in Aharonov-Bohm molecular interferometer
• Electron Transport through a Molecular Conductor with Center-of-Mass Motion
• Thermal and Electrical Currents in Nanoscale Electronic Interferometers
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• Dissipative tunneling and orthogonality catastrophe in molecular transistors
• Theory of Zero-Bias Anomaly in Magnetic Tunnel Junctions: Inelastic Tunneling via Impurities
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Cited by in corpus (321)

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• Protein bioelectronics: a review of what we do and do not know
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• Thermodynamic uncertainty relations from exchange fluctuation theorems
• A Chirality-Based Quantum Leap
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• Tunneling through molecules and quantum dots: master-equation approaches
• Kinetic Equations for Transport Through Single-Molecule Transistors
• Thermodynamics of precision in quantum non equilibrium steady states
• Real-Time Diagrammatic Monte Carlo for Nonequilibrium Quantum Transport
• Finding the quantum thermoelectric with maximal efficiency and minimal entropy production at given power output
• Resonant electron heating and molecular phonon cooling in single C${}_{60}$ junctions
• Vibrational Heat Transport in Molecular Junctions
• Scattering theory of current-induced forces in mesoscopic systems
• Current-induced forces in mesoscopic systems: a scattering matrix approach
• Current-induced atomic dynamics, instabilities, and Raman signals: Quasi-classical Langevin equation approach
• Nonequilibrium Green's function method for thermal transport in junctions
• Molecular Assembly on Two-Dimensional Materials
• Time-dependent density functional theory for quantum transport
• Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling
• Born-Oppenheimer Dynamics, Electronic Friction, and the Inclusion of Electron-Electron Interactions
• Full counting statistics of vibrationally-assisted electronic conduction: transport and fluctuations of the thermoelectric efficiency
• Nonequilibrium quantum systems with electron-phonon interactions: Transient dynamics and approach to steady state
• Quantum Interference and Decoherence in Single-Molecule Junctions: How Vibrations Induce Electrical Current
• Spin effects in single electron tunneling
• Electron transfer in confined electromagnetic fields
• Quantum Engines and Refrigerators
• A Single-Level Tunnel Model to Account for Electrical Transport through Single Molecule- and Self-Assembled Monolayer-based Junctions
• Vibrational cooling, heating, and instability in molecular conducting junctions: Full counting statistics analysis
• Vibration-induced correction to the current through a single molecule
• Beyond Marcus theory and the Landauer-Büttiker approach in molecular junctions: A unified framework
• Coupled electron and phonon transport in one-dimensional atomic junctions
• Vibrational nonequilibrium effects in the conductance of single-molecules with multiple electronic states
• Multimode vibrational effects in single molecule conductance: A nonequilibrium Green's function approach
• Thermoelectric transport with electron-phonon coupling and electron-electron interaction in molecular junctions
• Vibrational Instabilities in Resonant Electron Transport through Single-Molecule Junctions
• Resonant vibrations, peak broadening and noise in single molecule contacts: beyond the resonant tunnelling picture
• Path-integral simulations with fermionic and bosonic reservoirs: Transport and dissipation in molecular electronic junctions
• Inelastic effects in molecular junction transport: Scattering and self-consistent calculations for the Seebeck coefficient
• Iterative summation of path integrals for nonequilibrium molecular quantum transport
• Bistability signatures in nonequilibrium charge transport through molecular quantum dots
• Theory of light-induced current in molecular-tunneling junctions excited with intense shaped pulses
• Matrix-product-state method with a dynamical local basis optimization for bosonic systems out of equilibrium
• First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes
• Nonequilibrium isolated molecule limit
• Influence of vibrational modes on the quantum transport through a nano-device
• Full-counting statistics for molecular junctions: Fluctuation theorem and singularities
• Transient dynamics and waiting time distribution of molecular junctions in the polaronic regime
• Effect of Dephasing on Electron Transport in a Molecular Wire: Green's Function Approach
• First-Principles Electron Transport with Phonon Coupling: Large-Scale at Low Cost
• Constructing Spin Interference Devices from Nanometric Rings
• Electron transfer across a thermal gradient
• Quantum Transport through Nanostructures with Orbital Degeneracies
• Green function techniques in the treatment of quantum transport at the molecular scale
• Laser-like vibrational instability in rectifying molecular conductors
• Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation
• Scattering theory of adiabatic reaction forces due to out-of-equilibrium quantum environments
• Heat Diode Effect and Negative Differential Thermal Conductance across Nanoscale Metal-Dielectric Interfaces
• Current-induced forces: a simple derivation
• Local temperatures of strongly-correlated quantum dots out of equilibrium
• Sub-Ohmic to super-Ohmic crossover behavior in nonequilibrium quantum systems with electron-phonon interactions
• Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space
• Current-induced switching in transport through anisotropic magnetic molecules
• Current-induced bond rupture in single-molecule junctions
• Linear optical response of current-carrying molecular junction: A NEGF-TDDFT approach
• Electron-Transfer-Induced Thermal and Thermoelectric Rectification
• Current-induced forces and hot-spots in biased nano-junctions
• Non-Equilibrium Quantum Dissipation
• Wiedemann-Franz Law for Molecular Hopping Transport
• Hybrid NRG-DMRG approach to real-time dynamics of quantum impurity systems
• Extending the hierarchical quantum master equation approach to low temperatures and realistic band structures
• Current Noise in Single-Molecule Junctions Induced by Electronic-Vibrational Coupling
• Resonant heating and substrate-mediated cooling of a single C60 molecule in a tunnel junction
• Vibrationally Induced Decoherence in Single-Molecule Junctions
• The Driven Liouville von Neumann Equation in Lindblad Form
• Electronic friction near metal surfaces: a case where molecule-metal couplings depend on nuclear coordinates
• Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model
• Long transient dynamics in the Anderson-Holstein model out of equilibrium
• Finite-temperature density-matrix renormalization group method for electron-phonon systems: Thermodynamics and Holstein-polaron spectral functions
• Vibrational absorption sidebands in the Coulomb blockade regime of single-molecule transistors
• Charge-carrier-induced frequency renormalization, damping and heating of vibrational modes in nanoscale junctions
• Control of heat transport in quantum spin systems
• Effect of nonadiabatic electronic-vibrational interactions on the transport properties of single-molecule junctions
• Electron transfer at thermally heterogeneous molecule-metal interfaces
• Nonequilibrium resonant spectroscopy of molecular vibrons
• Inelastic effects in electron transport studied with wave packet propagation
• Frequency and Polarization Dependence of Thermal Coupling between Carbon Nanotubes and SiO2
• Many-body Green's function theory for electron-phonon interactions: the Kadanoff-Baym approach to spectral properties of the Holstein dimer
• Random transition-rate matrices for the master equation
• Molecular wires acting as quantum heat ratchets
• Non-equilibrium electronic structure of interacting single-molecule nanojunctions: vertex corrections and polarization effects for the electron-vibron coupling
• Crossover from adiabatic to antiadiabatic phonon-assisted tunneling in single-molecule transistors
• Stochastic dynamics for a single vibrational mode in molecular junctions
• Signatures of electron-magnon interaction in charge and spin currents in magnetic tunnel junctions: A nonequilibrium many-body perturbation theory approach
• Transport mirages in single-molecule devices
• Vibration-induced inelastic effects in the electron transport through multisite molecular bridges
• A many-body approach to transport in quantum systems: From the transient regime to the stationary state
• Transient dynamics of a molecular quantum dot with a vibrational degree of freedom
• Nuclear dynamics at molecule-metal interfaces: A pseudoparticle perspective
• Effects of electron-phonon interaction on thermal and electrical transport through molecular nano-conductors
• Waiting time distribution for electron transport in a molecular junction with electron-vibration interaction
• Molecular junctions and molecular motors: Including Coulomb repulsion in electronic friction using nonequilibrium Green's functions
• Nonequilibrium transport through magnetic vibrating molecules
• Charge-memory polaron effect in molecular junctions
• Vibrational effects in charge transport through a molecular double quantum dot
• Transient Dynamics in Molecular Junctions: Coherent Bichromophoric Molecular Electron Pumps
• Nanoelectromechanical coupling in fullerene peapods probed via resonant electrical transport experiments
• Beyond Marcus theory and the Landauer-Buttiker approach in molecular junctions. II. A self-consistent Born approach
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• Stochastic thermodynamics of self-oscillations: the electron shuttle
• Time-linear quantum transport simulations with correlated nonequilibrium Green's functions
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• Electron-phonon thermalization in a scalable method for real-time quantum dynamics
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• Quantitatively Accurate Calculations of Conductance and Thermopower of Molecular Junctions
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• Electrothermal Transistor Effect and Cyclic Electronic Currents in Multithermal Charge Transfer Networks
• Influence of vibrations on electron transport through nanoscale contacts
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• Kondo effect and channel mixing in oscillating molecules
• Phonon dynamics in correlated quantum systems driven away from equilibrium
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• Exact quantum master equation for a molecular aggregate coupled to a harmonic bath
• Coherent charge transport through molecular wires: "Exciton blocking" and current from electronic excitations in the wire
• Electron-vibration effects on the thermoelectric efficiency of molecular junctions
• Thermoelectric effects in molecular quantum dots with contacts
• Inelastic Scattering in Metal-H2-Metal Junctions
• Non-renewal statistics for electron transport in a molecular junction with electron-vibration interaction
• Transient heat generation in a quantum dot under a step-like pulse bias
• Transient current in a quantum dot asymmetrically coupled to metallic leads
• Multi-terminal far-from-equilibrium thermoelectric nano-devices in the Kondo regime
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• Impact of capacitance and tunneling asymmetries on Coulomb blockade edges and Kondo peaks in non-equilibrium transport through molecular quantum dots
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• Quantum turnstile regime of nanoelectromechanical systems
• Negative Differential Spin Conductance by Population Switching
• On the role of local many-body interactions on the thermoelectric properties of fullerene junctions
• Top-Ranked Cycle Flux Network Analysis of Molecular Photocells
• Generalization of correlated electron-ion dynamics from nonequilibrium Green's functions
• Diverging conductance at the contact between random and pure quantum XX spin chains
• Heating and thermoelectric transport in a molecular junction
• Magnetic-State Controlled Molecular Vibrational Dynamics at Buried Molecular-Metal Interfaces
• Temperature effect in the conductance of hydrogen molecule
• Thermoelectric unipolar spin battery in a suspended carbon nanotube
• Boosting current-induced molecular dynamics with machine-learning potential
• Effect of uniaxial magnetic anisotropy on charge transport in a junction with a precessing anisotropic molecular spin
• A semiclassical nonequilibrium Green's Function approach to electron transport in systems exhibiting electron-phonon couplings
• Encoding information onto the charge and spin state of a paramagnetic atom using MgO tunnelling spintronics
• Adiabatic Green's function technique and the transient behavior in time-dependent fermion-boson coupled models
• Non-equilibrium renormalised contacts for transport in nanodevices with interaction: a quasi-particle approach
• Weak Electron-Phonon Coupling Is Insufficient to Generate Significant CISS in Two-Terminal Transport
• Cotunneling signatures of Spin-Electric coupling in frustrated triangular molecular magnets
• Evidence for atomic-scale vibron-mediated electron bunching
• Charge density wave breakdown in a heterostructure with electron-phonon coupling
• Anomalous zero-temperature magnetopolaronic blockade of resonant electron tunneling in Majorana-resonant-level single-electron transistor
• Nonadiabatic dynamics at metal surfaces: fewest switches surface hopping with electronic relaxation