We study transport of noninteracting fermions through a periodically driven quantum point contact (QPC) connecting two tight-binding chains. Initially, each chain is prepared in its own equilibrium state, generally with a bias in chemical potentials and temperatures. We examine the heating rate (or, alternatively, energy increase per cycle) in the nonequilibrium time-periodic steady state established after initial transient dynamics. We find that the heating rate vanishes identically when the driving frequency exceeds the bandwidth of the chain. We first establish this fact for a particular type of QPC where the heating rate can be calculated analytically. Then we verify numerically that this nonequilibrium phase transition is present for a generic QPC. Finally, we derive this effect perturbatively in leading order for cases when the QPC Hamiltonian can be considered as a small perturbation. Strikingly, we discover that for certain QPCs the current averaged over the driving cycle also vanishes above the critical frequency, despite a persistent bias. This shows that a driven QPC can act as a frequency-controlled quantum switch.
The amplitude of magnetoresistance quantum oscillations of Al and Be point contacts in a magnetic field parallel to the contact axis has been studied as a function of voltage applied over the contact. It was found that for one group of contacts the oscillation amplitude nonmonotonously increases with the bias voltage increase, while for the other part of the contacts a decrease of amplitude was observed. The scattering of electrons with nonequilibrium phonons and also phonon-phonon collisions will be discussed as the possible reasons of the observed effects.
For metallic point contacts with Be and Al the magnetoquantum oscillations in the contact resistance have been investigated as a function of the applied voltage over the contact. For one set of point contacts the oscillation amplitude is found to vary nonmonotonously with the applied voltage with similarities to the point-contact spectrum of the electron-phonon interaction. The other part of the investigated point contacts shows a decrease of the oscillation amplitude with increasing bias voltage. For the understanding of the voltage dependence of the amplitude of the point-contact magnetoresi…
Absorption of energy quanta generated by quantum point contact results in the inelastic current through the double quantum dot placed nearby. In contrast to a single quantum dot, the inelastic current through the double quantum dot is sensitive to the energy dependence of the quantum point contact transmission, which can explain the experimentally observed features. We calculate the inelastic current as a function of microscopic parameters of the circuit.
We present a detailed comparison of three different methods designed to tackle nonequilibrium quantum transport, namely the functional renormalization group (fRG), the time-dependent density matrix renormalization group (tDMRG), and the iterative summation of real-time path integrals (ISPI). For the nonequilibrium single-impurity Anderson model (including a Zeeman term at the impurity site), we demonstrate that the three methods are in quantitative agreement over a wide range of parameters at the particle-hole symmetric point as well as in the mixed-valence regime. We further compare these tec…
In this work, we extend the recently established system-bath entanglement theorem (SBET) [J. Chem. Phys. 152, 034102 (2020)] to the nonequilibrium scenario, in which an arbitrary system couples to multiple Gaussian baths environments at different temperatures. While the existing SBET connects the entangled system-bath response functions to those of local systems, the extended theory is concerned with the nonequilibrium steady-state quantum transport current through molecular junctions. The new theory is established on the basis of the generalized Langevin equation, with a close relation to non…
A key insight from recent studies is that noise, such as dephasing, can improve the efficiency of quantum transport by suppressing coherent single-particle interference effects. However, it is not yet clear whether dephasing can enhance transport in an interacting many-body system. Here, we address this question by analyzing the transport properties of a boundary driven spinless fermion chain with nearest-neighbor interactions subject to bulk dephasing. The many-body nonequilibrium stationary state is determined using large-scale matrix product simulations of the corresponding quantum master e…
Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic-vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular in the off-resonant transport regime, the inelastic c…
We consider wide ballistic microcontacts with electron-electron scattering in the leads and calculate electric noise and nonlinear conductance in them. Due to a restricted geometry the collisions of electrons result in a shot noise even though they conserve the total momentum of electrons. We obtain the noise and the conductivity for arbitrary relations between voltage V and temperature T. The positive inelastic correction to the Sharvin conductance is proportional to T at low voltages eV << T, and to |V| at high voltages. At low voltages the noise is defined by the Nyquist relation and at hig…
We develop a theory for the nonequilibrium coherent transport through a mesoscopic region, based on the nonequilibrium Green function technique. The theory requires the weak coupling between the central mesoscopic region and the multiple electrodes connected to it, but allows arbitrary hopping and interaction in the central region. An equation determining the nonequilibrium distribution in the central interacting region is derived and plays an important role in the theory. The theory is applied to two special cases for demonstrations, revealing the novel effects associated with the combination…
Based on the formalism of thermo field dynamics we propose a concept of nonequilibrium Fock space and nonequilibrium quasiparticles for quantum many-body system in nonequilibrium steady state. We develop a general theory as well as demonstrate the utility of the approach on the example of electron transport through the interacting region. The proposed approach is compatible with advanced methods of electronic structure calculations such as coupled cluster theory and configuration interaction.
Nonequilibrium electronic transport through a polymer chain is investigated by the scattering state operator method. The polymer chain is described by an electron-lattice coupling model and its two ends are connected with metal electrodes of different chemical potentials. The scattering states are shown to be a set of complete eigenstates of electrons in the system at nonequilibrium steady state. With the method, we show that the nonequilibrium Peierls transition (NEPT) does not survive the lattice relaxation and the soliton-antisoliton pair excitations. Furthermore the electronic transport th…
The classical Bloch equations of spin magnetization transport is extended to fully time-dependent and highly-nonlinear nonequilibrium spin magnetization quantum distribution function transport (SMQDFT) equations. The relevant variables are the spinor correlation functions which separate into charge and spin magnetization distributions that becomes highly coupled in SMQDFT equa- tions. The leading terms consist of the Boltzmann kinetic equation with spin-orbit coupling in a magnetic eld together with spin-dependent scattering terms which contribute to the torque. These do not have analogue with…
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…
We present a microscopic theory for both equilibrium and nonequilibrium transport properties of coupled double quantum dots (DQD). A general formula for current tunneling through the DQD is derived by the nonequilibrium Green's function method. Using a Hartree-Fock approach, effects of multi-level coupling and nonequilibrium electron distributions in resonant tunneling are considered. We find that the peak in the resonant tunneling current through two symmetric dots will split only when the inter-dot coupling is stronger than dot-lead coupling. We predict that population inversion can be achie…
We derive the topological Chern number of the integer quantum Hall effect in electrical conductivity, using Buot's superfield and lattice Weyl transform nonequilibrium quantum transport formalism. The method is naturally straightforward, appropriate for treating nonequilibrium systems acted on by external electromagnetic fields. We have identified the topological invariant in the effective (~p; ~q; E; t)-phase space via the nonequilibrium quantum transport equation, generally not to first-order in electric field but to first-order in the gradient expansion. We have also derive the Kubo current…
Models of nonequilibrium quantum transport underpin all modern electronic devices, from the largest scales to the smallest. Past simplifications such as coarse graining and bulk self-averaging served well to understand electronic materials. Such particular notions become inapplicable at mesoscopic dimensions, edging towards the truly quantum regime. Nevertheless a unifying thread continues to run through transport physics, animating the design of small-scale electronic technology: microscopic conservation and nonequilibrium dissipation. These fundamentals are inherent in quantum transport and …
A generalized Landauer formula, derived with the methods due to Keldysh, and Baym and Kadanoff, is gaining widespread use in the modeling of transport in a large number of different mesoscopic systems. We review some of the recent developments, including transport in semiconductor superlattices, calculation of noise, and nanoelectromechanical systems.
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 un…
We suggest a generalisation of the expression of the nonequilibrium density matrix obtained by Hershfield's method for the cases where both heat and charge steady state currents are present in a quantum open system. The finite-size quantum system, connected to two temperature and particle reservoirs, is driven out of equilibrium by the presence of both a temperature gradient and a chemical potential gradient between the two reservoirs. We show that the NE density matrix is given by a generalised Gibbs-like ensemble, and is in full agreement with the general results of the McLennan-Zubarev none…
We present a method to perform stability analysis of nonequilibrium fixed points appearing in self-consistent electron transport calculations. The nonequilibrium fixed points are given by the self-consistent solution of stationary, nonlinear kinetic equation for single-particle density matrix. We obtain the stability matrix by linearizing the kinetic equation around the fixed points and analyze the real part of its spectrum to assess the asymptotic time behavior of the fixed points. We derive expressions for the stability matrices within Hartree-Fock and linear response adiabatic time-dependen…
We extend the imaginary-time formulation of the equilibrium quantum many-body theory to steady-state nonequilibrium with an application to strongly correlated transport. By introducing Matsubara voltage, we keep the finite chemical potential shifts in the Fermi-Dirac function, in agreement with the Keldysh formulation. The formulation is applied to strongly correlated transport in the Kondo regime using the quantum Monte Carlo method.
We develop a nonperturbative dynamical theory (NDT) that is useful for treating nonequilibrium transport in a system with strong correlation. We apply our NDT to the single-impurity Anderson model in equilibrium to check its reliability by comparing with the results of numerical renormalization group method (NRG). We finally suggest a self-consistent loop to calculate the current in a lead-dot-lead system with Kondo coupling.
We propose a novel approach to nonequilibrium real-time dynamics of quantum impurities models coupled to biased non-interacting leads, such as those relevant to quantum transport in nanoscale molecular devices. The method is based on a Diagrammatic Monte Carlo sampling of the real-time perturbation theory along the Keldysh contour. We benchmark the method on a non-interacting resonant level model and, as a first non-trivial application, we study zero temperature non-equilibrium transport through a vibrating molecule.
We extended the Density Matrix Renormalization Group method to study the real time dynamics of interacting one dimensional spinless Fermi systems by applying the full time evolution operator to an initial state. As an example we describe the propagation of a density excitation in an interacting clean system and the transport through an interacting nano structure.
General nonequilibrium quantum transport equations are derived for a coupled system of charge carriers, Dirac spin, isospin (or valley spin), and pseudospin, such as either one of the band, layer, impurity, and boundary pseudospins. Limiting cases are obtained for one, two or three different kinds of spin ocurring in a system. We show that a characteristic integer number $N_{s}$ determines the formal form of spin quantum transport equations, irrespective of the type of spins or pseudospins, as well as the maximal entanglement entropy. The results may shed a new perspective on the mechanism lea…
We investigate the effects of alternating voltage on nonequilibrium quantum systems with localised phonon modes. Nonequilibrium Green's functions are utilised, with electron-phonon coupling being considered with the $GD$ approximation (self-consistent Born approximation). Using a Floquet approach, we assume periodicity of the dynamics. This approach allows us to investigate the influence of the driven electronic component on the nonequilibrium occupation of the vibrations. It was found that signatures of inelastic transport gained photon-assisted peaks. A simplistic model was proposed and foun…
We have developed a numerical approach to compute real-time path integral expressions for quantum transport problems out of equilibrium. The scheme is based on a deterministic iterative summation of the path integral (ISPI) for the generating function of the nonequilibrium current. Self-energies due to the leads, being non-local in time, are fully taken into account within a finite memory time, thereby including non-Markovian effects, and numerical results are extrapolated both to vanishing (Trotter) time discretization and to infinite memory time. This extrapolation scheme converges except at…
We study nonequilibrium quantum transport through a mesoscopic wire coupled via local exchange to a ferromagnetic spin chain. Using the Keldysh formalism in the self-consistent Born approximation, we identify fingerprints of the magnetic polaron state formed by hybridization of electronic and magnon states. Because of its low decoherence rate, we find coherent transport signals. Both elastic and inelastic peaks of the differential conductance are discussed as a function of external magnetic fields, the polarization of the leads and the electronic level spacing of the wire.
With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the explicit result for the reduced density matrix of quantum transport when the system, the connecting reservoirs and, as well, the system-reservoir interactions are described by quadratic Hamiltonians. Our procedure is detailed for both, electronic transport described by the tight-binding Hamiltonian and for phonon transport described by harmonic Hamiltonians. …
A semiclassical (SC) approach is developed for nonequilibrium quantum transport in molecular junctions. Following the early work of Miller and White [J. Chem. Phys. 84, 5059 (1986)], the many-electron Hamiltonian in second quantization is mapped onto a classical model that preserves the fermionic character of electrons. The resulting classical electronic Hamiltonian allows for real-time molecular dynamics simulations of the many-body problem from an uncorrelated initial state to the steady state. Comparisons with exact results generated for the resonant level model reveal that a semiclassical …
We investigate models of molecular junctions which constitute minimal Hamiltonians to account for zero-bias-anomaly and the satellite features of inelastic transport by molecular phonons. Through nonlinear transport calculations with the imaginary-time nonequilibrium formalism, a HOMO-LUMO model with Anderson-Holstein interaction is shown to produce co-tunneling conductance peak in the vicinity of Kondo resonance which is mediated by a re-emergent many-body resonance assisted by phonon excitations at bias equal to the phonon frequency. Destruction of the resonance leads to negative-differentia…
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…
Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical results. Nevertheless, the method of Green functions is easier to handle due to the availability of an absolute energy scale. It is demonstrated, that the transport in complicated structures, like quantum cascade lasers, can be described in reasonable agreement with experiment.
Since any realistic electronic device has some degree of disorder, predicting disorder effects in quantum transport is a critical problem. Here we report the theory of nonequilibrium coherent potential approximation (NECPA) for analyzing disorder effects in nonequilibrium quantum transport of nanoelectronic devices. The NECPA is formulated by contour ordered nonequilibrium Green's function (NEGF) where the disorder average is carried out within the coherent potential approximation on the complex-time contour. We have derived a set of new rules that supplement the celebrated Langreth theorem an…
Low-temperature transport through molecules with effectively negative charging energy U exhibits a charge-Kondo effect. We explore this regime analytically by establishing an exact mapping between the negative-U and the positive-U Anderson models, which is suitable for the description of nonequilibrium transport. We employ this mapping to demonstrate the intimate relation between nonequilibrium tranport in the spin-Kondo and charge-Kondo regimes, and derive analytical expressions for the nonlinear current-voltage chracteristics as well as the shot noise in the latter regime. Applying the mappi…
We develop an iterative, numerically exact approach for the treatment of nonequilibrium quantum transport and dissipation problems that avoids the real-time sign problem associated with standard Monte Carlo techniques. The method requires a well-defined decorrelation time of the non-local influence functional for proper convergence to the exact limit. Since finite decorrelation times may arise either from temperature or from a voltage drop at zero temperature, the approach is well suited for the description of the real-time dynamics of single-molecule devices and quantum dots driven to a stead…
We investigate the effects of voltage induced spin-relaxation in a quantum dot in the Kondo regime. Using nonequilibrium perturbation theory, we determine the joint effect of self-energy and vertex corrections to the conduction electron T-matrix in the limit of transport voltage much larger than temperature. The logarithmic divergences, developing near the different chemical potentials of the leads, are found to be cut off by spin-relaxation rates, implying that the nonequilibrium Kondo-problem remains at weak coupling as long as voltage is much larger than the Kondo temperature.
We simulate the nonequilibrium dynamics of two generic many-body quantum impurity models by employing the recently developed iterative influence-functional path integral method [Phys. Rev. B {\bf 82}, 205323 (2010)]. This general approach is presented here in the context of quantum transport in molecular electronic junctions. Models of particular interest include the single impurity Anderson model and the related spinless two-state Anderson dot. In both cases we study the time evolution of the dot occupation and the current characteristics at finite temperature. A comparison to mean-field resu…
The description of quantum transport in a quadruple quantum-dot structure (QQD) is proposed taking into account the Coulomb correlations and nonzero bias voltages. To achieve this goal the combination of nonequilibrium Green's functions and equation-of-motion technique is used. It is shown that the anisotropy of kinetic processes in the QQD leads to negative differential conductance (NDC). The reason of the effect is an interplay of the Fano resonances which are induced by the interdot Coulomb correlations. Different ways to increase the peak-to-valley ratio related to the observed NDC are dis…
We develop an exact non-perturbative framework to compute steady-state properties of quantum-impurities subject to a finite bias. We show that the steady-state physics of these systems is captured by nonequilibrium scattering eigenstates which satisfy an appropriate Lippman-Schwinger equation. Introducing a generalization of the equilibrium Bethe-Ansatz - the Nonequilibrium Bethe-Ansatz (NEBA), we explicitly construct the scattering eigenstates for the Interacting Resonance Level model and derive exact, nonperturbative results for the steady-state properties of the system.
We use a superoperator representation of the quantum kinetic equation to develop nonequilibrium perturbation theory for an inelastic electron current through a quantum dot. We derive a Lindblad-type kinetic equation for an embedded quantum dot (i.e. a quantum dot connected to Lindblad dissipators through a buffer zone). The kinetic equation is converted to non-Hermitian field theory in Liouville-Fock space. The general nonequilibrium many-body perturbation theory is developed and applied to the quantum dot with electron-vibronic and electron-electron interactions. Our perturbation theory becom…
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…
We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism to generalize beyond linear theory in the applied voltage an equation of motion method and an interpolative self-energy approximation previously developed in equilibrium. We analyze the specific characteristics of inelastic transport appearing in the intensity versus voltage curves and in the conductance, providing qualitative criteria for the sign of the st…
With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in semiconductors, thermal transport due to phonons in mesoscopic systems has attracted much attention. In quantum transport studies, the nonequilibrium Green's function (NEGF) method is a versatile and powerful tool that has been developed for several decades. In this review, we will discuss theoretical investigations of thermal transport using the NEGF approach f…
We extend a perturbative, nonequilibrium renormalization group approach to multi-orbital systems and apply it for studying transport through two parallel quantum dots coupled electrostatically. In general, the conductance shows pronounced Kondoesque peaks at three voltages. One of these peaks disappears if, as in some experiments, one of the dots is decoupled from one of the two leads. For an asymmetric coupling to the leads, also negative differential conductances are possible. This is a genuine nonequilibrium effect, accompanying the Kondoesque peaks. Moreover, a criterion to distinguish spi…
Magnetoquantum oscillations of resistance as functions of the potential difference applied across the contact are studied for metallic point contacts made of $Al$ and $Be$. The amplitude of resistance oscillations in a magnetic field increases with voltage and is identical to the EPI spectrum of the point contact for one group of contacts, and with the bias voltage across the contact for another. The increase in the oscillation amplitude as well as its decrease has a nonmonotonic dependence on energy. The scattering of electrons by nonequilibrium phonons and the Fermi-liquid effects in the non…
We investigate nonequilibrium excitations and charge transport in charge-neutral graphene driven with DC electric field by using the nonequilibrium Green's function technique. Due to the vanishing Fermi surface, electrons are subject to non-trivial nonequilibrium excitations such as highly anisotropic momentum distribution of electron-hole pairs, an analog of the Schwinger effect. We show that the electron-hole excitations, initiated by the Landau-Zener tunneling with a superlinear IV relation $I \propto E^{3/2}$, reaches a steady-state dominated by the dissipation due to optical phonons, resu…
We study the Anderson model in which a configuration with a doublet is hybridized with another with a singlet and a triplet. We calculate the conductance through the system as a function of temperature and bias voltage, near the quantum critical line for which the system is exactly solvable. The results explain recent transport measurements in a single-molecule quantum dot.
We set up a general microscopic theory for the transfer of energy, momentum, and angular momentum mediated by photons. Using the nonequilibrium Green's function method, we propose a unified Meir-Wingreen formalism for the energy emitted, force experienced, and torque experienced by the objects due to the fluctuating electromagnetic field. Our theory does not require the local thermal equilibrium that is the central assumption of the conventional theory of fluctuational electrodynamics (FE). The obtained formulas are valid for arbitrary objects as well as the environment without the requirement…
We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use superoperator techniques in Liouville-Fock space and represent the nonequilibrium density matrix as a linear combination of all possible nonequilibrium quasiparticle excitations built on the appropriate reference state. As an example we consider the electron transport through the system with electron-phonon interaction. The concept of embedding (buffer zone…
Scaling laws and universality are often associated with systems exhibiting emergent phenomena possessing a characteristic energy scale. We report nonequilibrium transport measurements on two different types of single-molecule transistor (SMT) devices in the Kondo regime. The conductance at low bias and temperature adheres to a scaling function characterized by two parameters. This result, analogous to that reported recently in semiconductor dots with Kondo temperatures two orders of magnitude lower, demonstrates the universality of this scaling form. We compare the extracted values of the scal…
We investigate the transient nonequilibrium dynamics of a molecular junction biased by a finite voltage and strongly coupled to internal vibrational degrees of freedom. Using two different, numerical exact techniques, diagrammatic Monte Carlo and the multilayer multiconfiguration time-dependent Hartree method, we show that the steady state current through the junction may depend sensitively on the initial preparation of the system, thus revealing signatures of bistability. The influence of the bias voltage and the transient dynamics on the phenomenon of bistability is analyzed. Furthermore, a …
Here we address two nonequilibrium Green's functions approaches for a resonant tunneling structure under a sudden switch of a bias. Our aim is to stress that the time-dependent Keldysh formulation of Jauho, Wingreen and Meir, and the partition-free scheme of Stefanucci and Almbladh are formally equivalent in the ubiquitous case of wide-band limit and noninteracting electrons, if leads and dot are in equilibrium before the time-dependent perturbation. We develop explicit closed formulas of the lesser Green's function and time-dependent current, reminding that the different integration limits pr…
Nonequilibrium Green's functions provide a powerful tool for computing the dynamical response and particle exchange statistics of coupled quantum systems. We formulate the theory in terms of the density matrix in Liouville space and introduce superoperator algebra that greatly simplifies the derivation and the physical interpretation of all quantities. Expressions for various observables are derived directly in real time in terms of superoperator nonequilibrium Green's functions (SNGF), rather than the artificial time-loop required in Schwinger's Hilbert-space formulation. Applications for com…
We have developed a new theoretical formalism for phonon transport in nanostructures using the nonequilibrium phonon Green's function technique and have applied it to thermal conduction in defective carbon nanotubes. The universal quantization of low-temperature thermal conductance in carbon nanotubes can be observed even in the presence of local structural defects such as vacancies and Stone-Wales defects, since the long wavelength acoustic phonons are not scattered by local defects. At room temperature, however, thermal conductance is critically affected by defect scattering since incident p…
The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum-statistical mechanics provide consistent but computational costly approaches; alternatively, use of density-dependent ballistic-transport calculations [e.g., Phys. Rev. B 52, 5335 (1995)], here denoted `DBT', provide computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory fo…
We study phonons generated by current in a Pt nanowire, by measuring resistance of another nanowire separated from the first one by an insulating spacer. For thin spacers, the resistance varies almost linearly with current at cryogenic temperatures, while an additional quadratic contribution emerges for thicker spacers. These observations suggest a non-thermal distribution of current-generated phonons that relax via strongly nonlinear dynamical processes rather than few-phonon scattering. Our results provide insight into the nonequilibrium phonon dynamics at nanoscale, which may facilitate eff…
