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arXiv:1711.08914 · Physical review. B./Physical review. B

Fermionic reaction coordinates and their application to an autonomous Maxwell demon in the strong-coupling regime

Philipp Strasberg, Gernot Schaller, Thomas L. Schmidt, Massimiliano Esposito

Published May 3, 2018• 107 citations
arXivHTMLPDF

Abstract

We establish a theoretical method which goes beyond the weak-coupling and Markovian approximations while remaining intuitive, using a quantum master equation in a larger Hilbert space. The method is applicable to all impurity Hamiltonians tunnel coupled to one (or multiple) baths of free fermions. The accuracy of the method is in principle not limited by the system-bath coupling strength, but rather by the shape of the spectral density and it is especially suited to study situations far away from the wide-band limit. In analogy to the bosonic case, we call it the fermionic reaction coordinate mapping. As an application, we consider a thermoelectric device made of two Coulomb-coupled quantum dots. We pay particular attention to the regime where this device operates as an autonomous Maxwell demon shoveling electrons against the voltage bias thanks to information. Contrary to previous studies, we do not rely on a Markovian weak-coupling description. Our numerical findings reveal that in the regime of strong coupling and non-Markovianity, the Maxwell demon is often doomed to disappear except in a narrow parameter regime of small power output.

DOI
10.1103/physrevb.97.205405

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We establish a theoretical method which goes beyond the weak-coupling and Markovian approximations while remaining intuitive, using a quantum master equation in a larger Hilbert space. The method is applicable to all impurity Hamiltonians tunnel coupled to one (or multiple) baths of free fermions. The accuracy of the method is in principle not limited by the system-bath coupling strength, but rather by the shape of the spectral density and it is especially suited to study situations far away from the wide-band limit. In analogy to the bosonic case, we call it the fermionic reaction coordinate mapping. As an application, we consider a thermoelectric device made of two Coulomb-coupled quantum dots. We pay particular attention to the regime where this device operates as an autonomous Maxwell demon shoveling electrons against the voltage bias thanks to information. Contrary to previous studies, we do not rely on a Markovian weak-coupling description. Our numerical findings reveal that in the regime of strong coupling and non-Markovianity, the Maxwell demon is often doomed to disappear except in a narrow parameter regime of small power output.
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In this article we want to present a thorough overview about the well known technique known as the Reaction Coordinate Mapping which is one of the most used theoretical tool in the context of Open quantum system and Quantum thermodynamics of quantum systems which is not weakly coupled to the reservoir. Here we discuss different aspects of the Reaction Coordinate mapping along with detailed mathematical derivations for the Bosonic and Fermionic mappings which can be achieved through the Symplectic and unitary transformations. In the later part of this article we discuss the derivation of the Quantum master equation for the extended systems (System+Reaction Coordinate) coupled to the residual reservoir in the weak coupling limit described by the usual Redfield Quantum Master equation. We observe that though the dynamics of the Extended system is Markovian in nature because of the weak coupling between the extended system and the Residual reservoir but the Reaction coordinate transformation enables us to analyses the dynamics of the system which is essentially non-Markovian.
The reaction coordinate (RC) technique is emerging as a significant tool in the study of quantum dissipative dynamics and quantum thermodynamics. With the objective to further establish this tool, here we explore to what extent the method can capture non-Markovian dynamics of open quantum systems. As a case study, we focus on the pure decoherence model of a spin coupled to a harmonic reservoir. We compare the spin dynamics and measures for non-Markovianity from the exact analytical solution to simulations based on the RC method at the level of a second-order quantum master equation. We find that the RC method can quantitatively capture non-Markovian effects at strong system-bath coupling and for structured baths. This is rationalized by the fact that the collective RC bath mode, which is made part of the system, maintains system-bath correlations. Lastly, we apply our RC method and study the spin-boson model in the non-Markovian regime.
In this tutorial we want to present a thorough overview about the well known technique known as the Reaction Coordinate Mapping which is one of the most used theoretical tool in the context of Open quantum system and Quantum thermodynamics of quantum systems which is not weakly coupled to the reservoir. Here we discuss different aspects of the Reaction Coordinate mapping along with detailed mathematical derivations for the Bosonic and Fermionic mappings which can be achieved through the Symplectic and unitary transformations. In the later part of this article we discuss the derivation of the Quantum master equation for the extended systems (System+Reaction Coordinate) coupled to the residual reservoir in the weak coupling limit described by the usual Redfield Quantum Master equation. We observe that though the dynamics of the Extended system is Markovian in nature because of the weak coupling between the extended system and the Residual reservoir but the Reaction coordinate transformation enables us to analyses the dynamics of the system which is essentially non-Markovian.
Theoretical studies of electron and energy transport in nanostructures usually involve nonequilibrium quantum impurity models, which feature a locally interacting quantum system (impurity) coupled to noninteracting bosonic and/or electronic baths each at its own equilibrium. In these models, the interplay of strong correlation, nonequilibrium effects and dissipation leads to rich and complex phenomena. As a nonequilibrium strongly correlated many-body problem, these models, except at some rare cases, have no exact analytical solution, and hence their treatment heavily relies upon numerical techniques. The goal of this thesis is to develop numerically accurate and relatively low-cost techniques for treatment of strongly correlated open nonequilibirum quantum systems. Such impurity solvers are in high demand both as standalone methods for simulation of response in nanoscale junctions and as part of divide-and-conquer schemes such as dynamical mean field theory (DMFT).For nonequilibirum open quantum systems, two characteristic energy scales governing the physics are intra-system interactions and strength of the system-baths couplings. Thus, systems strongly coupled to their baths with weak intra-system interactions or weakly coupled systems with strong local interactions can be treated within developed perturbation theory approaches. My research focuses on development of nonequilibirum dual techniques, which are capable to accurately treat situations where perturbative techniques are inapplicable due to absence of a small parameter in the system and which reduce to standard perturbative expansions in the limits of weak coupling or weak intra-system interaction. \tDual techniques rely on ability to solve exactly a simplified reference system. The latter includes exactly all intra-system interactions and accounts approximately for system-bath couplings. Dual techniques (described below) allow to account for deviation from the correct hybridization function in a organized and controlled manner of superperturbative expansion. Here, I use Markovian Lindbald quantum master equation (QME) as a solver for the reference system. In the thesis I discuss possibility of mapping between true non-Markov dynamics and simpler Markov Lindblad QME (mapping between physical and reference systems), numerical methods for the mapping and for solution of the resulting Lindblad QME, and application of the mapping in novel dual formulations: auxiliary-QME dual fermion and dual boson approaches. \tFirst I analytically prove that the continuous fermionic baths that the impurity is coupled to can be mapped onto a set of dissipative auxiliary modes under Lindblad QME. Based on this mapping, complicated non-Markovian dynamics of the open fermionic system can be treated by a much simpler Markovian Lindblad QME. However, nice mapping generally requires many auxiliary modes, and numerically only a small number of modes can be exactly diagonalized due to exponential increase of the Hilbert space. To perturbatively treat the difference between the true bath and the small-size auxiliary one, we introduce dual-fermion method. It can directly target the steady state and avoid long-time propagation. Besides current-voltage relation, it can also provide spectral functions, indicating itself as a potential impurity solver for DMFT. Furthermore, we generalize dual-fermion method to consider additionally the effects of bosonic environment; hence it is called dual-boson method. It can be used for studying electron-phonon interaction and light-matter interaction in nanojunctions. By comparing with numerically exact results we argue that both methods are very accurate and relatively cheap. \tFinally, matrix product state representation of the Lindblad QME enables us to treat a large number of auxiliary modes, which provide an exponentially improved mapping. Adding counting field to the auxiliary QME, we can compute the generating function of time-dependent full-counting statistics of electron transport, which yields not only electronic current but also higher-order cumulants (e.g., zero-frequency noise).
The fundamental building blocks of quantum computers, called qubits, can be physically realized through any quantum system that is restricted to two possible states. The power of qubits arises from their ability to be in a superposition of these two states, allowing for the development of quantum algorithms that are impossible for classical computers. However, interactions with the surrounding environment destroy the superposition in a process called decoherence, which makes it important to find ways to model these interactions and mitigate them. In this thesis we derive a non-Markovian master equation for the spin-boson model, with a time-dependent two-level system, using the reaction coordinate representation. We show numerically that in the superconducting qubit regime this master equation maintains the positivity of the density operator for relevant parameter ranges, and is able to model non-Markovian effects between the system and the environment. We also compare the reaction coordinate master equation to a Markovian master equation with parameters taken from real superconducting qubits. We demonstrate that the Markovian master equation fails to capture the system–bath correlations for short times, and in many cases overestimates relaxation and coherence times. Finally, we test how a time-dependent bias affects the evolution of the two-level system. The bias is assumed to be constant with an additive term arising from an externally applied time-dependent plane wave control field. We show that an amplitude, angular frequency, and phase shift for the plane wave can be chosen such that the control field improves the coherence time of the two-level system.