Conserving approximations in time-dependent quantum transport: Initial correlations and memory effects

We study time-dependent quantum transport in a correlated model system by means of time-propagation of the Kadanoff-Baym equations for the nonequilibrium many-body Green function. We consider an initially contacted equilibrium system of a correlated central region coupled to tight-binding leads. Subsequently a time-dependent bias is switched on after which we follow in detail the time-evolution of the system. Important features of the Kadanoff-Baym approach are 1) the possibility of studying the ultrafast dynamics of transients and other time-dependent regimes and 2) the inclusion of exchange and correlation effects in a conserving approximation scheme. We find that initial correlation and memory terms due to many-body interactions have a large effect on the transient currents. Furthermore the value of the steady state current is found to be strongly dependent on the approximation used to treat the electronic interactions.Comment: 5 pages, 2 figure

On the thermalization of a Luttinger liquid after a sequence of sudden interaction quenches

We present a comprehensive analysis of the relaxation dynamics of a Luttinger liquid subject to a sequence of sudden interaction quenches. We express the critical exponent $\beta$ governing the decay of the steady-state propagator as an explicit functional of the switching protocol. At long distances $\beta$ depends only on the initial state while at short distances it is also history dependent. Continuous protocols of arbitrary complexity can be realized with infinitely long sequences. For quenches of finite duration we prove that there exist no protocol to bring the initial non-interacting system in the ground state of the Luttinger liquid. Nevertheless memory effects are washed out at short-distances. The adiabatic theorem is then investigated with ramp-switchings of increasing duration, and several analytic results for both the propagator and the excitation energy are derived.Comment: 7 pages, 4 figure

Classical Nuclear Motion in Quantum Transport

An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results provide the first example of current-induced molecular desorption as obtained from a full time-dependent approach and suggest the use of ac biases as a way to tailor electromigration. They also show the importance of non-adiabatic effects for ultrafast phenomena in nanodevices.Comment: 5 pages, 3 figure

Symmetry improvement of 3PI effective actions for O(N) scalar field theory

[Abridged] n-Particle Irreducible Effective Actions ($n$PIEA) are a powerful tool for extracting non-perturbative and non-equilibrium physics from quantum field theories. Unfortunately, practical truncations of $n$PIEA can unphysically violate symmetries. Pilaftsis and Teresi (PT) addressed this by introducing a "symmetry improvement" scheme in the context of the 2PIEA for an O(2) scalar theory, ensuring that the Goldstone boson is massless in the broken symmetry phase [A. Pilaftsis and D. Teresi, Nuc.Phys. B 874, 2 (2013), pp. 594--619]. We extend this by introducing a symmetry improved 3PIEA for O(N) theories, for which the basic variables are the 1-, 2- and 3-point correlation functions. This requires the imposition of a Ward identity involving the 3-point function. The method leads to an infinity of physically distinct schemes, though an analogue of d'Alembert's principle is used to single out a unique scheme. The standard equivalence hierarchy of $n$PIEA no longer holds with symmetry improvement and we investigate the difference between the symmetry improved 3PIEA and 2PIEA. We present renormalized equations of motion and counter-terms for 2 and 3 loop truncations of the effective action, leaving their numerical solution to future work. We solve the Hartree-Fock approximation and find that our method achieves a middle ground between the unimproved 2PIEA and PT methods. The phase transition predicted by our method is weakly first order and the Goldstone theorem is satisfied. We also show that, in contrast to PT, the symmetry improved 3PIEA at 2 loops does not predict the correct Higgs decay rate, but does at 3 loops. These results suggest that symmetry improvement should not be applied to $n$PIEA truncated to $<n$ loops. We also show that symmetry improvement is compatible with the Coleman-Mermin-Wagner theorem, a check on the consistency of the formalism.Comment: 27 pages, 15 figures, 2 supplemental Mathematica notebooks. REVTeX 4.1 with amsmath. Updated with minor corrections. Accepted for publication in Phys. Rev.

Antiferromagnetism of the 2D Hubbard Model at Half Filling: Analytic Ground State at Weak Coupling

We introduce a local formalism to deal with the Hubbard model on a N times N square lattice (for even N) in terms of eigenstates of number operators, having well defined point symmetry. For U -> 0, the low lying shells of the kinetic energy are filled in the ground state. At half filling, using the 2N-2 one-body states of the partially occupied shell S_{hf}, we build a set of (2N-2 N-1)^{2} degenerate unperturbed ground states with S_{z}=0 which are then resolved by the Hubbard interaction \hat{W}=U\sum_{r}\hat{n}_{r\ua}\hat{n}_{r\da}. In S_{hf} we study the many-body eigenstates of the kinetic energy with vanishing eigenvalue of the Hubbard repulsion (W=0 states). In the S_{z}=0 sector, this is a N times degenerate multiplet. From the singlet component one obtains the ground state of the Hubbard model for U=0^{+}, which is unique in agreement with a theorem by Lieb. The wave function demonstrates an antiferromagnetic order, a lattice step translation being equivalent to a spin flip. We show that the total momentum vanishes, while the point symmetry is s or d for even or odd N/2, respectively.Comment: 13 pages, no figure

Equilibrium and time-dependent Josephson current in one-dimensional superconducting junctions

We investigate the transport properties of a one-dimensional superconductor-normal metal-superconductor (S-N-S) system described within the tight-binding approximation. We compute the equilibrium dc Josephson current and the time-dependent oscillating current generated after the switch-on of a constant bias. In the first case an exact embedding procedure to calculate the Nambu-Gorkov Keldysh Green's function is employed and used to derive the continuum and bound states contributions to the dc current. A general formalism to obtain the Andreev bound states (ABS) of a normal chain connected to superconducting leads is also presented. We identify a regime in which all Josephson current is carried by the ABS and obtain an analytic formula for the current-phase relation in the limit of long chains. In the latter case the condition for perfect Andreev reflections is expressed in terms of the microscopic parameters of the model, showing a limitation of the so called wide-band-limit (WBL) approximation. When a finite bias is applied to the S-N-S junction we compute the exact time-evolution of the system by solving numerically the time-dependent Bogoliubov-deGennes equations. We provide a microscopic description of the electron dynamics not only inside the normal region but also in the superconductors, thus gaining more information with respect to WBL-based approaches. Our scheme allows us to study the ac regime as well as the transient dynamics whose characteristic time-scale is dictated by the velocity of multiple Andreev reflections

Many-body current formula and current conservation for non-equilibrium fully interacting nanojunctions

We consider the electron transport properties through fully interacting nanoscale junctions beyond the linear-response regime. We calculate the current flowing through an interacting region connected to two interacting leads, with interaction crossing at the left and right contacts, by using a non-equilibrium Green's functions (NEGF) technique. The total current at one interface (the left one for example) is made of several terms which can be regrouped into two sets. The first set corresponds to a very generalised Landauer-like current formula with physical quantities defined only in the interacting central region and with renormalised lead self-energies. The second set characterises inelastic scattering events occurring in the left lead. We show how this term can be negligible or even vanish due to the pseudo-equilibrium statistical properties of the lead in the thermodynamic limit. The expressions for the different Green's functions needed for practical calculations of the current are also provided. We determine the constraints imposed by the physical condition of current conservation. The corresponding equation imposed on the different self-energy quantities arising from the current conservation is derived. We discuss in detail its physical interpretation and its relation with previously derived expressions. Finally several important key features are discussed in relation to the implementation of our formalism for calculations of quantum transport in realistic systems

Auxiliary master equation for nonequilibrium dual-fermion approach

We introduce auxiliary quantum master equation - dual fermion approach (QME-DF) and argue that it presents a convenient way to describe steady-states of correlated impurity systems. The combined scheme yields an expansion around a reference much closer to the true nonequilibrium state than in the original dual fermion formulation. In steady-state situations, the scheme is numerically cheaper and allows to avoid long time propagation of previous considerations. Anderson impurity is used as a test model. The QME-DF simulations are compared with numerically exact tdDMRG results.Comment: 8 pages, 4 figure

The Role of Bound States in Time-Dependent Quantum Transport

Charge transport through a nanoscale junction coupled to two macroscopic electrodes is investigated for the situation when bound states are present. We provide numerical evidence that bound states give rise to persistent, non-decaying current oscillations in the junction. We also show that the amplitude of these oscillations can exhibit a strong dependence on the history of the applied potential as well as on the initial equilibrium configuration. Our simulations allow for a quantitative investigation of several transient features. We also discuss the existence of different time-scales and address their microscopic origin.Comment: 10 pages, 8 figure