Time-dependent quantum transport: Causal superfermions, exact fermion-parity protected decay modes, and Pauli exclusion principle for mixed quantum states
We extend the recently developed causal superfermion approach to the real-time diagrammatic transport theory to time-dependent decay problems. Its usefulness is illustrated for the Anderson model of a quantum dot with tunneling rates depending on spin due to ferromagnetic electrodes and/or spin polarization of the tunnel junction. This approach naturally leads to an exact result for one of the time-dependent decay modes for any value of the Coulomb interaction compatible with the wideband limit. We generalize these results to multilevel Anderson models and indicate constraints they impose on renormalization-group schemes in order to recover the exact noninteracting limit.(i) We first set up a second quantization scheme in the space of density operators constructing ``causal'' field superoperators using the fundamental physical principles of causality/probability conservation and fermion-parity superselection (univalence). The time-dependent perturbation series for the time evolution is renormalized by explicitly performing the wideband limit on the superoperator level. As a result, the occurrence of destruction and creation superoperators are shown to be tightly linked to the physical short- and long-time reservoir correlations, respectively. This effective theory takes as a reference a damped local system, which may also provide an interesting starting point for numerical calculations of memory kernels in real time. (ii) A remarkable feature of this approach is the natural appearance of a fermion-parity protected decay mode which can be measured using a setup proposed earlier [Phys. Rev. B 85, 075301 (2012)]. This mode can be calculated exactly in the fully Markovian, infinite-temperature limit by leading-order perturbation theory, but surprisingly persists unaltered for finite temperature, for any interaction and tunneling spin polarization. (iii) Finally, we show how a Liouville-space analog of the Pauli principle directly leads to an exact expression in the noninteracting limit for the time evolution, extending previous works by starting from an arbitrary initial mixed state including spin and pairing coherences and two-particle correlations stored on the quantum dot. This exact result is obtained already in finite-order renormalized perturbation theory, which surprisingly is not quadratic but quartic in the field superoperators, despite the absence of Coulomb interaction. The latter fact we relate to the time evolution of the two-particle component of the mixed state, which is just the fermion-parity operator, a cornerstone of the formalism. We illustrate how the super-Pauli-principle also simplifies problems with nonzero Coulomb interaction.
We extend the recently developed causal superfermion approach to the real-time diagrammatic transport theory to time-dependent decay problems. Its usefulness is illustrated for the Anderson model of a quantum dot with tunneling rates depending on spin due to ferromagnetic electrodes and/or spin polarization of the tunnel junction. This approach naturally leads to an exact result for one of the time-dependent decay modes for any value of the Coulomb interaction compatible with the wideband limit. We generalize these results to multilevel Anderson models and indicate constraints they impose on renormalization-group schemes in order to recover the exact noninteracting limit.(i) We first set up a second quantization scheme in the space of density operators constructing ``causal'' field superoperators using the fundamental physical principles of causality/probability conservation and fermion-parity superselection (univalence). The time-dependent perturbation series for the time evolution is renormalized by explicitly performing the wideband limit on the superoperator level. As a result, the occurrence of destruction and creation superoperators are shown to be tightly linked to the physical short- and long-time reservoir correlations, respectively. This effective theory takes as a reference a damped local system, which may also provide an interesting starting point for numerical calculations of memory kernels in real time. (ii) A remarkable feature of this approach is the natural appearance of a fermion-parity protected decay mode which can be measured using a setup proposed earlier [Phys. Rev. B 85, 075301 (2012)]. This mode can be calculated exactly in the fully Markovian, infinite-temperature limit by leading-order perturbation theory, but surprisingly persists unaltered for finite temperature, for any interaction and tunneling spin polarization. (iii) Finally, we show how a Liouville-space analog of the Pauli principle directly leads to an exact expression in the noninteracting limit for the time evolution, extending previous works by starting from an arbitrary initial mixed state including spin and pairing coherences and two-particle correlations stored on the quantum dot. This exact result is obtained already in finite-order renormalized perturbation theory, which surprisingly is not quadratic but quartic in the field superoperators, despite the absence of Coulomb interaction. The latter fact we relate to the time evolution of the two-particle component of the mixed state, which is just the fermion-parity operator, a cornerstone of the formalism. We illustrate how the super-Pauli-principle also simplifies problems with nonzero Coulomb interaction.
We study electron quantum transport through a strongly interacting Anderson quantum dot at finite bias voltage and magnetic field at zero temperature using the real-time renormalization group (RT-RG) in the framework of a kinetic (generalized master) equation for the reduced density operator. To this end, we further develop the general, finite-temperature real-time transport formalism by introducing field superoperators that obey fermionic statistics. This direct second quantization in Liouville Fock space strongly simplifies the construction of operators and superoperators that transform irreducibly under the Anderson-model symmetry transformations. The fermionic field superoperators naturally arise from the univalence (fermion-parity) superselection rule of quantum mechanics for the total system of quantum dot plus reservoirs. Expressed in these field superoperators, the causal structure of the perturbation theory for the effective time-evolution superoperator kernel becomes explicit. Using the constraints of the causal structure, we construct a parametrization of the exact effective time-evolution kernel for which we analytically find the eigenvectors and eigenvalues in terms of a minimal set of only 30 independent coefficients. The causal structure also implies the existence of a fermion-parity protected eigenvector of the exact Liouvillian, explaining a recently reported result on adiabatic driving [Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and generalizing it to arbitrary order in the tunnel coupling $\ensuremath{\Gamma}$. Furthermore, in the wide-band limit, the causal representation exponentially reduces the number of diagrams for the time-evolution kernel. The remaining diagrams can be identified simply by their topology and are manifestly independent of the energy cutoff term by term. By an exact reformulation of this series, we integrate out all infinite-temperature effects, obtaining an expansion targeting only the nontrivial, finite-temperature corrections, and the exactly conserved transport current follows directly from the time-evolution kernel. From this new series, the previously formulated RT-RG equations are obtained naturally. We perform a complete one-plus-two-loop RG analysis at finite voltage and magnetic field, while systematically accounting for the dependence of all renormalized quantities on both the quantum dot and reservoir frequencies. Using the second quantization in Liouville space and symmetry restrictions, we obtain analytical RT-RG equations, which can be solved numerically in an efficient way, and we extensively study the model parameter space, excluding the Kondo regime where the one-plus-two-loop approach is obviously invalid. The incorporated renormalization effects result in an enhancement of the inelastic cotunneling peak, even at a voltage $\ensuremath{\sim}$magnetic field $\ensuremath{\sim}$tunnel coupling $\ensuremath{\Gamma}$. Moreover, we find a tunnel-induced nonlinearity of the stability diagrams (Coulomb diamonds) at finite voltage, both in the single-electron tunneling and inelastic cotunneling regime.
The study of electronic transport through strongly confined, interacting open quantum systems has regained considerable interest over the past years. One main motivation behind this concerns the possibility of time-dependently controlled operations on individual electrons, promising applications in, e.g., metrology and electron-based quantum computing. In particular, fundamental questions of quantum thermodynamics and the practical necessity to recover waste heat from nanocircuits have attracted attention towards electronic energy currents.The research articles covered by this thesis contribute to this topic by deriving and exploring a fundamental symmetry relation -- the fermionic duality. This duality applies to the quantum master equation of any locally interacting, fermionic open quantum system tunnel-coupled to non-interacting reservoirs. It yields a crosslink between modes and amplitudes corresponding to the evolution rates in the time-dependent decay of the open-system state. This crosslink involves a mapping between the system of interest and a dual system with inverted environment potentials, local energies, and thus especially inverted interactions. The duality thereby explains many, at first sight unintuitive, transport features and significantly improves their analytic accessability. In particular, we can understand why charge- and energy currents through quantum dots with strong local Coulomb repulsion in fact exhibit features of electron-electron attraction, both in the time-dependent decay after a sudden switch and in the stationary limit.More fundamental insights are obtained by identifying the duality to be rooted in Pauli's exclusion principle and the parity superselection principle. Namely, this implies that the duality is independent of, and hence combinable with many other general symmetries, including particle-hole symmetry, time-reversal symmetry, detailed balance and Onsager reciprocity. Especially the combination with the latter offers a novel perspective on the thermoelectric response of open, locally interacting electronic nanosystems.
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. For reservoirs of noninteracting fermions, the exact trace over the leads' degrees of freedom results in the time-nonlocal Feynman-Vernon influence functional, a functional of the Grassmann-valued paths of the nanojunction, which induces correlations among the tunneling transitions in and out of the nanojunction. 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 for the populations of the reduced density matrix in the occupation-number representation, as well as a formally exact expression for the current. By borrowing the nomenclature of the famous spin-boson model, we parametrize the two-state dynamics of each single-particle fermionic degree of freedom, in the occupation-number representation, in terms of blips and sojourns. We apply our formalism to the exactly solvable resonant level model (RLM) and to the single-impurity Anderson model (SIAM), the latter being a prototype system for studying strong correlations. For both systems, we demonstrate a hierarchical diagrammatic structure. While the hierarchy closes at the second tier for the RLM, this is not the case for the interacting SIAM. Upon inspection of the current kernel, known results from various perturbative and nonperturbative approximation schemes to quantum transport in the SIAM are recovered. Finally, a noncrossing approximation for the hierarchical kernel is developed, which enables us to systematically decrease temperature at each next level of the approximation. Analytical results for a simplified fourth-tier scheme are presented both in equilibrium and nonequilibrium and with an applied magnetic field.
Open fermion systems with energy-independent bilinear coupling to a fermionic environment have been shown to obey a general duality relation [J. Schulenborg et al., Phys. Rev. B 93, 081411 (2016)] which allows for a drastic simplification of time-evolution calculations. In the weak-coupling limit, such a system can be associated with a unique dual physical system in which all energies are inverted, in particular the internal interaction. This paper generalizes this fermionic duality in two ways: we allow for weak coupling with arbitrary energy dependence and describe both occupations and coherences coupled by a quantum master equation for the density operator. We also show that whenever generalized detailed balance holds (Kolmogorov criterion), the stationary probabilities for the dual system can be expressed explicitly in terms of the stationary recurrence times of the original system, even at large bias. We illustrate the generalized duality by a detailed analysis of the rate equation for a quantum dot with strong onsite Coulomb repulsion, going beyond the commonly assumed wide-band limit. We present predictions for (i) the decay rates for transient charge and heat currents after a gate-voltage quench and (ii) the thermoelectric linear-response coefficients in the stationary limit. We show that even for pronouncedly energy-dependent coupling, all nontrivial parameter dependence in these problems is entirely captured by just two well-understood stationary variables, the average charge of the system and of the dual system. Remarkably, it is the latter that often dictates the most striking features of the measurable quantities (e.g., positions of resonances), underscoring the importance of the dual system for understanding the actual one.
A quantum dissipation theory is formulated in terms of hierarchically coupled equations of motion for an arbitrary fermionic system coupled with grand canonical fermionic bath ensembles.1 The theoretical construction starts with the second-quantization influence functional in path integral formalism, in which the fermionic creation and annihilation operators are represented by Grassmann variables. Temporal derivatives on influence functionals are then performed in a hierarchical manner, on the basis of calculus-on-path-integral algorithm. Both the multiple-frequency-dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting formalism is in principle exact, applicable to interacting systems, with arbitrary time-dependent external fields. It renders an exact tool to evaluate various transient and stationary quantum transport properties of many-electron systems. At the second-tier truncation level the present theory recovers the real-time diagrammatic formalism developed by Schön and coworkers.2 For a single-particle system, the hierarchical formalism terminates at the second tier exactly, and the Landuer-Büttiker's transport current expression is readily recovered. Numerical studies will be presented to highlight the richness of transient current through both interacting and noninteracting model systems.
A generalized quantum master equation theory that governs the exact, nonperturbative quantum dissipation and quantum transport is formulated in terms of hierarchically coupled equations of motion for an arbitrary electronic system in contact with electrodes under either a stationary or a nonstationary electrochemical potential bias. The theoretical construction starts with the influence functional in path integral, in which the electron creation and annihilation operators are Grassmann variables. Time derivatives on the influence functionals are then performed in a hierarchical manner. Both the multiple-frequency dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting hierarchical equations of motion formalism is in principle exact and applicable to arbitrary electronic systems, including Coulomb interactions, under the influence of arbitrary time-dependent applied bias voltage and external fields. Both the conventional quantum master equation and the real-time diagrammatic formalism of Schon and co-workers can be readily obtained at well defined limits of the present theory. We also show that for a noninteracting electron system, the present hierarchical equations of motion formalism terminates at the second tier exactly, and the Landuer-Buttiker transport current expression is recovered. The present theory renders an exact and numerically tractable tool to evaluate various transient and stationary quantum transport properties of many-electron systems, together with the involving nonperturbative dissipative dynamics.