Nonequilibrium transport in quantum impurity models: the Bethe ansatz for open systems

We develop an exact nonperturbative 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--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.     

Numerical analyses of the nonequilibrium electron transport through the Kondo impurity beside the Toulouse point

Nonequilibrium electron transport through the Kondo impurity is investigated numerically for the system with 20 conduction-electron levels. The electron current under finite voltage drop is calculated in terms of the ‘conductance viewed as transmission’ picture proposed by Landauer. Here, we take into account the full transmission processes of both the many-body correlation and the hybridization amplitude up to infinite order. Our results demonstrate, for instance, how the exact solution of the differential conductance by Schiller and Hershfield obtained at the Toulouse point becomes deformed by more realistic interactions. The differential-conductance-peak height is suppressed below e²/h with the width hardly changed through reducing the Kondo coupling from the Toulouse point, whereas it is kept unchanged by further increase of the coupling. We calculated the nonequilibrium local Green function as well. This clarifies the spectral property of the Kondo impurity driven far from equilibrium.     

A unified framework for the Kondo problem and for an impurity in a Luttinger liquid

We develop a unified theoretical framework for the anisotropic Kondo model and the boundary sine-Gordon model. They are both boundary integrable quantum field theories with a quantum-group spin at the boundary which takes values, respectively, in standard or cyclic representations of the quantum groupSU(2) _q. This unification is powerful, and allows us to find new results for both models. For the anisotropic Kondo problem, we find exact expressions (in the presence of a magnetic field) for all the coefficients in the Anderson-Yuval perturbative expansion. Our expressions hold initially in the very anisotropic regime, but we show how to continue them beyond the Toulouse point all the way to the isotropic point using an analog of dimensional regularization. The analytic structure is transparent, involving only simple poles which we determine exactly, together with their residues. For the boundary sine-Gordon model, which describes an impurity in a Luttinger liquid, we find the nonequilibrium conductance for all values of the Luttinger coupling. This is an intricate computation because the voltage operator and the boundary scattering do not commute with each other.     

On Grover’s search algorithm from a quantum information geometry viewpoint

We present an information geometric characterization of Grover’s quantum search algorithm. First, we quantify the notion of quantum distinguishability between parametric density operators by means of the Wigner-Yanase quantum information metric. We then show that the quantum searching problem can be recast in an information geometric framework where Grover’s dynamics is characterized by a geodesic on the manifold of the parametric density operators of pure quantum states constructed from the continuous approximation of the parametric quantum output state in Grover’s algorithm. We also discuss possible deviations from Grover’s algorithm within this quantum information geometric setting.     

Theoretical formulation of finite-dimensional discrete phase spaces: II. On the uncertainty principle for Schwinger unitary operators

We introduce a self-consistent theoretical framework associated with the Schwinger unitary operators whose basic mathematical rules embrace a new uncertainty principle that generalizes and strengthens the Massar–Spindel inequality. Among other remarkable virtues, this quantum-algebraic approach exhibits a sound connection with the Wiener–Khinchin theorem for signal processing, which permits us to determine an effective tighter bound that not only imposes a new subtle set of restrictions upon the selective process of signals and wavelet bases, but also represents an important complement for property testing of unitary operators. Moreover, we establish a hierarchy of tighter bounds, which interpolates between the tightest bound and the Massar–Spindel inequality, as well as its respective link with the discrete Weyl function and tomographic reconstructions of finite quantum states. We also show how the Harper Hamiltonian and discrete Fourier operators can be combined to construct finite ground states which yield the tightest bound of a given finite-dimensional state vector space. Such results touch on some fundamental questions inherent to quantum mechanics and their implications in quantum information theory.     

Conductance of inhomogeneous systems: Real‐time dynamics

Numerical time evolution of transport states using time dependent Density Matrix Renormalization Group (td‐DMRG) methods has turned out to be a powerful tool to calculate the linear and finite bias conductance of interacting impurity systems coupled to non‐interacting one‐dimensional leads. Several models, including the Interacting Resonant Level Model (IRLM), the Single Impurity Anderson Model (SIAM), as well as models with different multi site structures, have been subject of investigations in this context. In this work we give an overview of the different numerical approaches that have been successfully applied to the problem and go into considerable detail when we comment on the techniques that have been used to obtain the full I–V‐characteristics for the IRLM. Using a model of spinless fermions consisting of an extended interacting nanostructure attached to non‐interacting leads, we explain the method we use to obtain the current–voltage characteristics and discuss the finite size effects that have to be taken into account. We report results for the linear and finite bias conductance through a seven site structure with weak and strong nearest‐neighbor interactions. Comparison with exact diagonalisation results in the non‐interacting limit serve as a verification of the accuracy of our approach. Finally we discuss the possibility of effectively enlarging the finite system by applying damped boundaries and give an estimate of the effective system size and accuracy that can be expected in this case.     

Quantum kinetic theory of trapped particles in a strong electromagnetic field

The idea of treating quantum systems by semiclassical representations using effective quantum potentials (forces) has been successfully applied in equilibrium by many authors, see e.g. [D. Bohm, Phys. Rev. 85 (1986) 166 and 180; D.K. Ferry, J.R. Zhou, Phys. Rev. B 48 (1993) 7944; A.V. Filinov, M. Bonitz, W. Ebeling, J. Phys. A 36 (2003) 5957 and references cited therein]. Here, this idea is extended to nonequilibrium quantum systems in an external field. A gauge-invariant quantum kinetic theory for weakly inhomogeneous charged particle systems in a strong electromagnetic field is developed within the framework of nonequilibrium Green’s functions. The equation for the spectral density is simplified by introducing a classical (local) form for the kinetics. Nonlocal quantum effects are accounted for in this way by replacing the bare external confinement potential with an effective quantum potential. The equation for this effective potential is identified and solved for weak inhomogeneity in the collisionless limit. The resulting nonequilibrium spectral function is used to determine the density of states and the modification of the Born collision operator in the kinetic equation for the Wigner function due to quantum confinement effects.     

Nonequilibrium quantum meson gas: Dimensional reduction

A nonequilibrium quantum gas of interacting relativistic effective mesons, ressembling qualitatively those produced in a heavy-ion collision, is described by a scalar quantum field in (1 + 3) -dimensional Minkowski space. For high temperature and large temporal and spatial scales, we justify that classical statistical mechanics including quantum renormalization effects describe approximately the gas: nonequilibrium dimensional reduction (NEDR). As a source of hints, we treat the gas at equilibrium in real-time formalism and obtain simplifications for high temperature and large spatial scales, thereby extending a useful equilibrium dimensional reduction known for the imaginary-time formalism. By assumption, the nonequilibrium initial state of the gas, not far from thermal equilibrium, includes interactions and inhomogeneities. We use nonequilibrium real-time generating functionals and correlators at nonzero temperature. In the NEDR regime, our arguments yield: 1) renormalized correlators simplify, 2) the perturbative series for those simplified correlators can be resummed into a new nonequilibrium generating functional, Z’ _{r, dr} , which is super-renormalizable and includes renormalization effects (large position-dependent thermal self-energies and effective couplings). Z’ _{r, dr} could enable to study nonperturbatively changes in the phase structures of the field, by proceeding from the nonequilibrium quantum regime to the NEDR one.     

Generalizing Planck’s distribution by using the Carati–Galgani model of molecular collisions

Classical systems of coupled harmonic oscillators are studied using the Carati–Galgani model. We investigate the consequences for Einstein’s conjecture by considering that the exchange of energy in molecular collisions follows the Lévy type statistics. We develop a generalization of Planck’s distribution admitting that there are analogous relations in the equilibrium quantum statistical mechanics of the relations found using the nonequilibrium classical statistical mechanics approach. The generalization of Planck’s law based on the nonextensive statistical mechanics formalism is compatible with our analysis.     

Violation of the Fluctuation-Dissipation Theorem and Heating Effects in the Time-Dependent Kondo Model

The fluctuation-dissipation theorem (FDT) plays a fundamental role in understanding quantum many-body problems. However, its applicability is limited to equilibrium systems and it does in general not hold in nonequilibrium situations. This violation of the FDT is an important tool for studying nonequilibrium physics. In this paper we present results for the violation of the FDT in the Kondo model where the impurity spin is frozen for all negative times, and set free to relax at positive times. We derive exact analytical results at the Toulouse point, and results within a controlled approximation in the Kondo limit, which allow us to study the FDT violation on all time scales. A measure of the FDT violation is provided by the effective temperature, which shows initial heating effects after switching on the perturbation, and then exponential cooling to zero temperature as the Kondo system reaches equilibrium.     

Spin-dependent shot noise of inelastic transport through molecular quantum dots

Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current–voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic nanojunction. Such device is composed of molecular quantum dot (with discrete energy levels) connected to ferromagnetic electrodes (treated within the wide-band approximation), where molecular vibrations are modeled as dispersionless phonons. Non-perturbative computational scheme, used in this work, is based on the Green's function theory within the framework of mapping technique (GFT–MT), which transforms the many-body electron–phonon interaction problem into a single-electron multi-channel scattering problem. The consequence of the localized electron–phonon coupling is polaron formation. It is shown that polaron shift and additional peaks in the transmission function completely change the shape of considered transport characteristics.     

Quantum-field-theoretical approach to phase–space techniques: Symmetric Wick theorem and multitime Wigner representation

In this work we present the formal background used to develop the methods used in earlier works to extend the truncated Wigner representation of quantum and atom optics in order to address multi-time problems. Analogs of Wick’s theorem for the Weyl ordering are verified. Using the Bose–Hubbard chain as an example, we show how these may be applied to constructing a mapping of the system in question to phase space. Regularisation issues and the reordering problem for the Heisenberg operators are addressed.     

Scaling and decoherence in the nonequilibrium Kondo model

We study the Kondo effect in quantum dots in an out-of-equilibrium state due to an applied dc-voltage bias. Using the method of infinitesimal unitary transformations ("flow equations"), we develop a perturbative scaling picture that naturally contains both equilibrium coherence and nonequilibrium decoherence effects. This framework allows one to study the competition between Kondo effect and current-induced decoherence, and it establishes a large regime dominated by single-channel Kondo physics for asymmetrically coupled quantum dots.     

Non-equilibrium STLS approach to transport properties of single impurity Anderson model

In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron–electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current–voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron–electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U²$U^2$ IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior.     

Causal signal transmission by quantum fields. VI: The Lorentz condition and Maxwell’s equations for fluctuations of the electromagnetic field

The general structure of electromagnetic interactions in the so-called response representation of quantum electrodynamics (QED) is analysed. A formal solution to the general quantum problem of the electromagnetic field interacting with matter is found. Independently, a formal solution to the corresponding problem in classical stochastic electrodynamics (CSED) is constructed. CSED and QED differ only in the replacement of stochastic averages of c-number fields and currents by time-normal averages of the corresponding Heisenberg operators. All relations of QED connecting quantum field to quantum current lack Planck’s constant, and thus coincide with their counterparts in CSED. In Feynman’s terms, one encounters complete disentanglement of the potential and current operators in response picture.     

DFT-NEGF study of transport properties and NDR behavior in fused furan and thiophene dimmers

The nonequilibrium Green's function approach in combination with density-functional theory is used to perform quantum mechanical calculations of the electron transport properties of furan and thiophene dimmers. Both the molecular systems have two S-linker and translated into the Gold junction with (1 1 1) surfaces. The studied molecular junctions at zero bias voltage are HOMO-based junctions and currents through these systems are driven by hole transport. The current–voltage characteristics of the both studied molecular junctions illustrate that negative differential resistance (NDR) feature is observed over the bias voltage of 2.0 V. Higher conductivity of fused furan dimmer and NDR character have been explained by the monitoring of the transmission resonance peak across the bias window against varying bias voltages.     

Nonequilibrium spin transport through a diluted magnetic semiconductor quantum dot system with noncollinear magnetization

The spin-dependent transport through a diluted magnetic semiconductor quantum dot (QD) which is coupled via magnetic tunnel junctions to two ferromagnetic leads is studied theoretically. A noncollinear system is considered, where the QD is magnetized at an arbitrary angle with respect to the leads’ magnetization. The tunneling current is calculated in the coherent regime via the Keldysh nonequilibrium Green’s function (NEGF) formalism, incorporating the electron–electron interaction in the QD. We provide the first analytical solution for the Green’s function of the noncollinear DMS quantum dot system, solved via the equation of motion method under Hartree–Fock approximation. The transport characteristics (charge and spin currents, and tunnel magnetoresistance (TMR)) are evaluated for different voltage regimes. The interplay between spin-dependent tunneling and single-charge effects results in three distinct voltage regimes in the spin and charge current characteristics. The voltage range in which the QD is singly occupied corresponds to the maximum spin current and greatest sensitivity of the spin current to the QD magnetization orientation. The QD device also shows transport features suitable for sensor applications, i.e., a large charge current coupled with a high TMR ratio.     

Effect of boundary treatments on quantum transport current in the Green’s function and Wigner distribution methods for a nano-scale DG-MOSFET

In this paper, we conduct a study of quantum transport models for a two-dimensional nano-size double gate (DG) MOSFET using two approaches: non-equilibrium Green’s function (NEGF) and Wigner distribution. Both methods are implemented in the framework of the mode space methodology where the electron confinements below the gates are pre-calculated to produce subbands along the vertical direction of the device while the transport along the horizontal channel direction is described by either approach. Each approach handles the open quantum system along the transport direction in a different manner. The NEGF treats the open boundaries with boundary self-energy defined by a Dirichlet to Neumann mapping, which ensures non-reflection at the device boundaries for electron waves leaving the quantum device active region. On the other hand, the Wigner equation method imposes an inflow boundary treatment for the Wigner distribution, which in contrast ensures non-reflection at the boundaries for free electron waves entering the device active region. In both cases the space-charge effect is accounted for by a self-consistent coupling with a Poisson equation. Our goals are to study how the device boundaries are treated in both transport models affects the current calculations, and to investigate the performance of both approaches in modeling the DG-MOSFET. Numerical results show mostly consistent quantum transport characteristics of the DG-MOSFET using both methods, though with higher transport current for the Wigner equation method, and also provide the current–voltage (I–V) curve dependence on various physical parameters such as the gate voltage and the oxide thickness.     

Nonequilibrium quantum phase transition in itinerant electron systems

We study the effect of the voltage bias on the ferromagnetic phase transition in a one-dimensional itinerant electron system. The applied voltage drives the system into a nonequilibrium steady state with a nonzero electric current. The bias changes the universality class of the second order ferromagnetic transition. While the equilibrium transition belongs to the universality class of the uniaxial ferroelectric, we find the mean-field behavior near the nonequilibrium critical point.