We show that a current-carrying coherent electron conductor can be treated as effective bosonic energy reservoir involving different types of electron-hole pair excitation. For weak electron-boson coupling, hybrid energy transport between nonequilibrium electrons and bosons can be described by a Landauer-like formula. This allows for unified account of a variety of heat transport problems in hybrid electron-boson systems. As applications, we study the non-reciprocal heat transport between electrons and bosons, thermoelectric current from a cold-spot and electronic cooling of the bosons. Our unified framework provides an intuitive way of understanding hybrid energy transport between electrons and bosons. It opens the way of nonequilibrium reservoir engineering for efficient energy control between different quasi-particles in the nanoscale.
Progress of experimental techniques at nanoscale in the last decade made optical measurements in current-carrying nanojunctions a reality thus indicating emergence of a new field of research coined as optoelectronics. Optical spectroscopy of open nonequilibrium systems is a natural meeting point for (at least) two research areas: nonlinear optical spectroscopy and quantum transport, each with its own theoretical toolbox. We review recent progress in the field comparing theoretical treatments of optical response in nanojunctions as is accepted in nonlinear spectroscopy and quantum transport com…
We show that in the presence of ferromagnetic electronic reservoirs and spin-dependent tunnel couplings, molecular vibrations in nonmagnetic single molecular transistors induce an effective intramolecular exchange magnetic field. It generates a finite spin-accumulation and -precession for the electrons confined on the molecular bridge and occurs under (non)equilibrium conditions. The effective exchange magnetic field is calculated here to lowest order in the tunnel coupling for a nonequilibrium transport setup. Coulomb interaction between electrons is taken into account as well as a finite ele…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in carbon nanotube junctions. It is shown that nonlinearity already becomes important at low temperatures. Nonlinear interactions greatly suppress phonon transmission at room temperature. The peak of thermal conductance is found to be around 400K, in good agreement with experiments. High-order phonon scattering processes are important for diffusive heat transpor…
We show, using a tight-binding model and time-dependent density-functional theory, that a quasi-steady state current can be established dynamically in a finite nanoscale junction without any inelastic effects. This is simply due to the geometrical constriction experienced by the electron wavepackets as they propagate through the junction. We also show that in this closed non-equilibrium system two local electron occupation functions can be defined on each side of the nanojunction which approach Fermi distributions with increasing number of atoms in the electrodes. The resultant conductance and…
We discuss a consequence of time reversal symmetry on thermoelectric effect in nonequilibrium coherent quantum transport. Starting with a quantum version of the fluctuation theorem, we show that there exist universal relations between the Peltier coefficient and the Seebeck coefficient of general mesoscopic systems with Coulomb interaction in a nonlinear regime. This extended Kelvin-Onsager relation may be used to obtain useful information on heat current, e.g. the nonlinear Peltier coefficient, which is difficult to be measured in a usual setup of experiments, only from electric current measu…
We present a hierarchical quantum master equation (HQME) approach, which allows the numerically exact evaluation of higher-order current cumulants in the framework of full counting statistics for nonequilibrium charge transport in nanosystems. The novel methodology is exemplarily applied to a model of vibrationally coupled electron transport in a molecular nanojunction. We investigate the influence of cotunneling on avalanche-like transport, in particular in the nonresonant transport regime, where we find that inelastic cotunneling acts as trigger process for resonant avalanches. In this regim…
Working within the Nonequilibrium Green's Function (NEGF) formalism, a formula for the two-time current correlation function is derived for the case of transport through a nanojunction in response to an arbitrary time-dependent bias. The one-particle Hamiltonian and the Wide Band Limit Approximation (WBLA) are assumed, enabling us to extract all necessary Green's functions and self energies for the system, extending the analytic work presented previously [Ridley et al. Phys. Rev. B (2015)]. We show that our new expression for the two-time correlation function generalises the Büttiker theory of…
We study the dynamics of the electron current in nanodevices where there are time-varying components and interactions. These devices are a nanojunction attached to heat baths and with dynamical electron-phonon interactions and a nanojunction with photon beams incident and reflected at the channel. We use the two-time nonequilibrium Green's functions technique to calculate the time-dependent electron current flowing across the devices. We find that whenever a sudden change occurs in the device, the current takes time to react to the abrupt change, overshoots, oscillates, and eventually settles …
We study the statistics of thermal energy transfer in the nonequilibrium (two-bath) spin-boson model. This quantum many-body impurity system serves as a canonical model for quantum energy transport. Our method makes use of the Majorana fermion representation for the spin operators, in combination with the Keldysh nonequilibrium Green's function approach. We derive an analytical expression for the cumulant generating function of the model in the steady state limit, and show that it satisfies the Gallavotti-Cohen fluctuation symmetry. We obtain analytical expressions for the heat current and its…
We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a single molecule is attached to two metallic zigzag graphene nanoribbons (ZGNRs) via highly transparent contacts. Such contacts make possible injection of evanescent wavefunctions from ZGNRs, so that their overlap within the molecular region generates a peak in the electronic transmission. Additionally, the spatial symmetry properties of the transverse propaga…
We study charge transport in a source-channel-drain system with a time-varying applied gate potential acting on the channel. We calculate both the current flowing from the source into the channel and out of the channel into the drain. The current is expressed in terms of nonequilibrium Green's functions. These nonequilibrium Green's functions can be determined from the steady-state Green's functions and the equilibrium Green's functions of the free leads. We find that the application of the gate potential can induce current to flow even when there is no source-drain bias potential. However, th…
We show that the density matrix for a finite conductor attached to reservoirs obtained by Keldysh formalism is of MacLennan-Zubarev form. On the basis of the fact that the density matrix is the invariant part proposed by Zubarev, it is shown that Keldysh formalism may describe the irreversible processes and steady-state feature of the system. An important consequence of the MacLennan-Zubarev form of the density matrix is a generalization of the Kubo formula in a nonequilibrium case. On the basis of the result, we propose the formula of shot noise and a nonequilibrium identity between different…
We study thermoelectric transport through a coherent molecular conductor connected to two electron and two phonon baths using the nonequilibrium Green's function method. We focus on the mutual drag between electron and phonon transport as a result of `momentum' transfer, which happens only when there are at least two phonon degrees of freedom. After deriving expressions for the linear drag coefficients, obeying the Onsager relation, we further investigate their effect on nonequilibrium transport. We show that the drag effect is closely related to two other phenomena: (1) adiabatic charge pumpi…
The topic of this review is the effects of electron-phonon interaction (EPI) on the transport properties of molecular nano-conductors. A nano-conductor connects to two electron leads and two phonon leads, possibly at different temperatures or chemical potentials. The EPI appears only in the nano-conductor. We focus on its effects on charge and energy transport. We introduce three approaches. For weak EPI, we use the nonequilibrium Green's function method to treat it perturbatively. We derive the expressions for the charge and heat currents. For weak system-lead couplings, we use the quantum ma…
Electrons in operating microelectronic semiconductor devices are accelerated by locally varying strong electric field to acquire effective electron temperatures nonuniformly distributing in nanoscales and largely exceeding the temperature of host crystal lattice. The thermal dynamics of electrons and the lattice are hence nontrivial and its understanding at nanoscales is decisively important for gaining higher device performance. Here, we propose and demonstrate that in layered conductors nonequilibrium nature between the electrons and the lattice can be explicitly pursued by simulating the co…
It is shown that the nonequilibrium steady-state of a phase-coherent conductor can be described by a generalized thermodynamic potential based on the concept of partial densities of states. This is possible due to the fact that dissipation takes place only in the contacts for the emitted carriers. Long-range Coulomb interaction is included, and charge conservation and gauge invariance are satisfied. The theory is illustrated for a mesoscopic capacitor with leakage.
Frequency-dependent nonequilibrium noise in quantum-coherent diffusive conductors is calculated with account taken of long-range Coulomb interaction. For long and narrow contacts with strong external screening the crossover between quantum and shot noise takes place at frequencies much smaller than the voltage drop across the contact. We also show that under certain frequency limitations, the semiclassical and quantum-coherent approaches to shot noise are mathematically equivalent.
In order to specify a nonequilibrium steady state of a quantum wire (QWR), one must connect reservoirs to it. Since reservoirs should be large 2d or 3d systems, the total system is a large and inhomogeneous 2d or 3d system, in which e-e interactions have the same strength in all regions. However, most theories of interacting electrons in QWR considered simplified 1d models, in which reservoirs are absent or replaced with noninteracting 1d leads. We first discuss fundamental problems of such theories in view of nonequilibrium statistical mechanics. We then present formulations which are free fr…
The operation of many classical and quantum systems in nonequilibrium steady state is constrained by cost-precision (dissipation-fluctuation) tradeoff relations, delineated by the thermodynamic uncertainty relation (TUR). However, coherent quantum electronic nanojunctions can escape such a constraint, showing finite charge current and nonzero entropic cost with vanishing current fluctuations. Here, we analyze the absence, and restoration, of cost-precision tradeoff relations in fermionic nanojunctions under different affinities: voltage and temperature biases. With analytic work and simulation…
We present a nonperturbative and formally exact approach for the charge transport in interacting nanojunctions based on a real time path integral formulation of the reduced system dynamics. An expansion of the influence functional in terms of the number of tunneling transitions, and integration of the Grassmann variables between the tunneling times, allows us to obtain a still exact generalized master equation (GME) for the populations of the reduced density matrix (RDM) in the occupation number representation, as well as a formally exact expression for the current. By borrowing the nomenclatu…
We investigate nonlinear heat properties in mesoscopic conductors using a scattering theory of transport. Our approach is based on a leading-order expansion in both the electrical and thermal driving forces. Beyond linear response, the transport coefficients are functions of the nonequilibrium screening potential that builds up in the system due to interactions. Within a mean-field approximation, we self-consistently calculate the heat rectification properties of a quantum dot attached to two terminals. We discuss nonlinear contributions to the Peltier effect and find departures from the Wiede…
We formulate and apply a nonperturbative numerical approach to the nonequilibrium current, $I(V)$, through a voltage-biased molecular conductor. We focus on a single electronic level coupled to an unequilibrated vibration mode (Anderson-Holstein model), which can be mapped to an effective three-state problem. Performing an iterative summation of real-time path integral (ISPI) expressions, we accurately reproduce known analytical results in three different limits. We then study the crossover regime between those limits and show that the Franck-Condon blockade persists in the quantum-coherent lo…
Shot noise measurements are widely used for the characterization of nonequilibrium configurations in electronic conductors. The recently introduced quantum tomography approach was implemented for the studies of electronic wavefunctions of few-electron excitations created by periodic voltage pulses in phase-coherent ballistic conductors based on the high-quality GaAs two-dimensional electron gas. Still relying on the manifestation of Fermi correlations in noise, we focus on the simpler and more general approach beneficial for the local measurements of energy distribution (ED) in electronic syst…
We investigate the injection of degenerate Fermi-Dirac electrons into a multimode ballistic conductor under the space-charge limited regime. The nonequilibrium current fluctuations were found to be suppressed by both Coulomb and Fermi correlations. We show that the Fermi shot-noise suppression factor is limited below by the value 2kT/epsilon_F, where T is the temperature and epsilon_F the Fermi energy of the injected electrons. The Coulomb noise suppression factor may attain much lower values epsilon_F/2qU, because of its dependence on the applied bias U >> kT/q. The asymptotic behaviour of th…
Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties, such as the local density of electrons and local current, are decomposed into contributions of eigen-channels. We observe that the evanescent modes and nonlinear conductance are enhanced in d-orbital systems, and the structure of the transmission function, local current density, and penetration depth are discussed. The two effects of the ill-contact at electrodes in d-orbital systems, evanescent modes and the nonlin…
We have derived a general formula describing current noise in multimode ballistic channels connecting source and drain electrodes with Fermi electron gas. In particular (at $eV\gg k_{B}T$), the expression describes the nonequilibrium ''shot'' noise, which may be suppressed by both Fermi correlations and space charge screening. The general formula has been applied to an approximate model of a 2D nanoscale, ballistic MOSFET. At large negative gate voltages, when the density of electrons in the channel is small, shot noise spectral density $S_{I}(0)$ approaches the Schottky value $2eI$, where $I$…
We investigate a multiterminal mesoscopic conductor in the quantum Hall regime, subject to temperature and voltage biases. The device can be considered as a nonequilibrium resource acting on a working substance. We previously showed that cooling and power production can occur in the absence of energy and particle currents from a nonequilibrium resource (calling this an N-demon). Here we allow energy or particle currents from the nonequilibrium resource and find that the device seemingly operates at a better efficiency than a Carnot engine. To overcome this problem, we define free-energy effici…
We investigate the charge and heat electronic noise in a generic two-terminal mesoscopic conductor in the absence of the corresponding charge and heat currents. Despite these currents being zero, shot noise is generated in the system. We show that, irrespective of the conductor's details and the specific nonequilibrium conditions, the charge shot noise never exceeds its thermal counterpart, thus establishing a general bound. Such a bound does not exist in the case of heat noise, which reveals a fundamental difference between charge and heat transport under zero-current conditions.
We develop a scattering theory of current-induced forces exerted by the conduction electrons of a general mesoscopic conductor on slow "mechanical" degrees of freedom. Our theory describes the current-induced forces both in and out of equilibrium in terms of the scattering matrix of the phase-coherent conductor. Under general nonequilibrium conditions, the resulting mechanical Langevin dynamics is subject to both non-conservative and velocity-dependent Lorentz-like forces, in addition to (possibly negative) friction. We illustrate our results with a two-mode model inspired by hydrogen molecule…
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 …
We investigate nonlinear transport properties of quantum conductors in response to both electrical and thermal driving forces. Within scattering approach, we determine the nonequilibrium screening potential of a generic mesoscopic system and find that its response is dictated by particle and entropic injectivities which describe the charge and entropy transfer during transport. We illustrate our model analyzing the voltage and thermal rectification of a resonant tunneling barrier. Importantly, we discuss interaction induced contributions to the thermopower in the presence of large temperature …
We investigate the shot noise of nonequilibrium carriers injected into a ballistic conductor and interacting via long-range Coulomb forces. Coulomb interactions are shown to act as an energy analyzer of the profile of injected electrons by means of the fluctuations of the potential barrier at the emitter contact. We show that the details in the energy profile can be extracted from shot-noise measurements in the Coulomb interaction regime, but cannot be obtained from time-averaged quantities or shot-noise measurements in the absence of interactions.
Nonequilibrium Greens function techniques (NEGF) combined with density functional theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nanojunctions in the coherent tunneling regime. However, the applicability of these methods for transport in the Coulomb blockade regime is questionable. For a molecular assembly model, with multideterminant calculations as a benchmark, we show how a closed shell ansatz, the usual ingredient of meanfield methods, fails to properly describe the step like electron transfer characteristic in weakly…
We present an extension of the work of D'Amato and Pastawski on electron transport in a one-dimensional conductor modeled by the tight binding lattice Hamiltonian and in which inelastic scattering is incorporated by connecting each site of the lattice to one-dimensional leads. This model incorporates Büttiker's original idea of dephasing probes. Here we consider finite temperatures and study both electrical and heat transport across a chain with applied chemical potential and temperature gradients. Our approach involves quantum Langevin equations and nonequilibrium Green's functions. In the li…
We present a generalize Landauer-Büttiker transport theory for multi-terminal spin transport in presence of spin-orbit interaction. It is pointed out that the presence of spin-orbit interaction results in {\it equilibrium spin currents}, since in presence of spin-orbit interaction spin is not a conserved quantitative. Further we illustrate the theory by applying it to a three terminal Y-shaped conductor. It is shown that when one of the terminal is a potential probe, there exist {\it nonequilibrium pure spin currents} without a n accompanying charge current. It is shown that this pure spin cur…
Conduction electrons in disordered metals and heavily doped semiconductors at low temperatures preserve their phase coherence for a long time: phase relaxation time $τ_ϕ$ can be orders of magnitude longer than the momentum relaxation time. The large difference in these time scales gives rise to well known effects of weak localization, such as anomalous magnetoresistance. Among other interesting characteristics, study of these effects provide quantitative information on the dephasing rate $1/τ_ϕ$. This parameter is of fundamental interest: the relation between $\hbar/τ_ϕ$ and the temperature $T…
The quasi-stationary nonequilibrium distribution function of an independent electron gas interacting with a medium, which is at local thermal equilibrium, can be obtained by entropy production rate minimization, subject to constraints of fixed moments. The result is not restricted to the region near equilibrium (linear response) and provides a closure of the associated generalized hydrodynamic equations of the electron gas for an arbitrary number of moments. Besides an access to far from equilibrium states, the approach provides a useful description of semi-classical transport in mesoscopic co…
The ac Josephson effect in hybrid systems of a normal mesoscopic conductor coupled to two superconducting (S) leads is investigated theoretically. A general formula of the ac components of time-dependent current is derived which is valid for arbitrary interactions in the normal region. We apply this formula to analyze a S-normal-S system where the normal region is a noninteracting single level quantum dot. We report the physical behavior of time-averaged nonequilibrium distribution of electrons in the quantum dot, the formation of Andreev bound states, and ac components of the time-dependent c…
We study the effect of a single impurity on the transport properties of a one dimensional quantum liquid highly excited away from its ground state by a sudden quench of the bulk interaction. In particular we compute the time dependent dc current to leading order in the impurity potential, using bosonization and starting both from the limit of a uniform system and from the one of two decoupled semi-infinite systems. Our results reveal that the nonequilibrium excitation of bulk modes induced by the global quench has important effects on the conductor-insulator quantum phase transition, which tur…
The microreversibility principle implies that the conductance of a two-terminal Aharonov-Bohm interferometer is an even function of the applied magnetic flux. Away from linear response, however, this symmetry is not fulfilled and the conductance phase of the interferometer when a quantum dot is inserted in one of its arms can be a continuous function of the bias voltage. Such magnetoasymmetries have been investigated in related mesoscopic systems and arise as a consequence of the asymetric response of the internal potential of the conductor out of equilibrium. Here we discuss magnetoasymmetrie…
We consider the transport spectroscopy of a quantum dot with an even number of electrons at finite bias voltage within the Coulomb blockade diamond. We calculate the tunneling current due to the elastic and inelastic co-tunneling processes associated with the spin-singlet ground state and the spin-triplet first excited state. We find a step in the differential conductance at a bias voltage equal to the excitation energy with a peak at the step edge. This may explain the recently observed sharp features in finite bias spectroscopy of semi-conductor quantum dots and carbon nanotubes. Two limitin…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low temperatures, with particular emphasis on the features of high-frequency response. Using the standard nonequilibrium Green's function techniques, we examine the time-averaged density of states, the conductivity, the dielectric function and the electron energy loss spectra for the system with photon polarization parallel with the tunneling current direction, respectivel…
