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arXiv:1009.3852

The Functional Renormalization Group for Zero-Dimensional Quantum Systems in and out of Equilibrium

Christoph Karrasch

Published Sep 20, 2010• 6 citations
arXivHTMLPDF

Abstract

We study transport properties of quantum impurity systems using the functional renormalization group. The latter is an RG-based diagrammatic tool to treat Coulomb interactions in a fast and flexible way. Prior applications, which employed a simple first-order (Hartree-Fock-like) scheme to truncate the FRG flow equations within the Matsubara formalism, succeeded in accurately describing linear transport of various quantum dot geometries at zero temperature T=0. In a nutshell, advance in this Thesis is three-fold. First, we introduce a frequency-dependent second-order approximation in order to eventually compute finite-energy properties such as the conductance at T>0 (mainly focusing on the single impurity Anderson model). Second, a generalisation of the Hartree-Fock-like approach to Keldysh space allows for addressing the non-equilibrium steady-state dynamics of the interacting resonant level model. Third, we investigate the physics of a quantum dot Josephson junction as well as the charging of a single narrow level using the first-order scheme.

DOI
10.48550/arxiv.1009.3852

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We study transport properties of quantum impurity systems using the functional renormalization group. The latter is an RG-based diagrammatic tool to treat Coulomb interactions in a fast and flexible way. Prior applications, which employed a simple first-order (Hartree-Fock-like) scheme to truncate the FRG flow equations within the Matsubara formalism, succeeded in accurately describing linear transport of various quantum dot geometries at zero temperature T=0. In a nutshell, advance in this Thesis is three-fold. First, we introduce a frequency-dependent second-order approximation in order to eventually compute finite-energy properties such as the conductance at T>0 (mainly focusing on the single impurity Anderson model). Second, a generalisation of the Hartree-Fock-like approach to Keldysh space allows for addressing the non-equilibrium steady-state dynamics of the interacting resonant level model. Third, we investigate the physics of a quantum dot Josephson junction as well as the charging of a single narrow level using the first-order scheme.
The progress in micro-fabrication technologies makes it possible to address individual, tailored, mesoscopic structures with sizes on a nanometer to micrometer scale. The transport properties of such quasi zero- or one-dimensional systems are considerably influenced by the electron-electron interaction. In theoretical studies this often becomes apparent in the emergence of divergences in a perturbative treatment of the interaction. A successful approach may then be given by renormalization group (RG) methods which are based on the idea of treating energy scales successively from high to low. In the functional RG (fRG) an exact infinite hierarchy of flow equations for multi-particle Green or vertex functions is derived, that allows for systematic approximations on different levels. In numerous studies the fRG has been found to be a powerful tool for the investigation of low dimensional Fermi systems. Usually it is formulated within Matsubara formalism which applies to a system in thermal equilibrium. A central topic of this thesis is the implementation of the fRG within Keldysh formalism, providing the possibility to treat equilibrium and non-equilibrium situations on equal footing. The resulting Keldysh fRG is used in this thesis to explore the transport properties of quantum wires with several barriers and of the single impurity Anderson model. The thesis starts with an introduction to Keldysh formalism and to related concepts. Then the structure of the Green and vertex functions of Keldysh formalism is investigated. This includes studying the consequences of causality, characterizing thermal equilibrium, and formulating corresponding relations for the multi-particle functions. After that, the implementation of the fRG within Keldysh formalism is presented in detail. The flow equations for the vertex functions are derived via their diagrammatic expansion. Two especially useful flow parameters are determined: one of them cuts off the imaginary frequencies that appear as poles of the Fermi functions of the reservoirs. The second flow parameter is an artificially enhanced reservoir hybridization; on one hand it has the advantage to preserve the fluctuation dissipation theorem in equilibrium even in frequency dependent approximations; on the other hand, its use can be more cumbersome. One of the models studied in this thesis is a tight-binding chain with nearest-neighbour interaction. At weak and intermediate interactions it belongs to the class of Luttinger liquids (LLs) whose low energy properties are characterized by power laws. The transport properties of LLs have been studied experimentally for example on carbon nanotubes. However, the presence of transport barriers at the contacts make the interpretation of the experimental data difficult. A theoretical treatment with the fRG permits a rather large flexibility to model the barrier configuration. In this thesis the fRG is first used in its equilibrium Matsubara implementation in order to analyse the temperature dependence of the linear conductance in the presence of two, three or four barriers. It is shown that temperature induces an averaging over quantum phases of propagation, leading to combinations of the power law exponents of the individual barriers. An experimental set-up that allows to verify this behaviour is proposed. In a second step the Keldysh version of the fRG is applied to the problem of transport through a quantum wire at finite bias voltage. For a wire with two high contact barriers it is found that the non-equilibrium particle distribution in the wire is responsible for the appearance of a two-fold power law in the density of states. An additional weakly attached probe lead can be used to make the two different power laws visible in the conductance. The second model which is analysed is the one of the single Anderson impurity, often considered as a paradigm for the investigation of strong local electron correlations. The latter become noticeable in the appearance of the Kondo scale, an energy exponentially small in the interaction strength, that characterizes the low energy physics of the model in the regime of spin fluctuations. On the basis of this model an advanced frequency dependent approximation for the Keldysh fRG is developed in this thesis. Such an approximation can account for subleading effects of the interaction, namely the fact that two-particle interactions can generate decay rates for single-particle states. The derivation of a consistent approximation scheme is presented, that turns out to yield a good description of the model at moderate interaction strength.
The aim of this work is the extension of the functional renormalization group (FRG) formalism to treat non-equilibrium situations. To this end, we reformulate the FRG equations in terms of the Keldysh method which is the standard technique to treat systems out of equilibrium. As simplest non-trivial application to test the potential and weakness of the non-equilibrium FRG we choose the single impurity Anderson model (SIAM). This model represents the paradigm for correlation effects in condensed matter physics and it is at the heart of a large range of experimental and theoretical investigations. In particular, the SIAM can be considered as the standard model for describing the physical properties of certain nanostructures and mesoscopic systems, such as quantum dots. These devices are interesting because they show fancy physical effects such as single electron tunneling and they could open new perspectives for future generations of electronic devices. After a general introduction to mesoscopic systems and the basics of the Keldysh technique, we derive the FRG equations for treating non-equilibrium situations and we point out the differences between equilibrium and non-equilibrium FRG schemes. The FRG can be adopted to describe both fermionic and bosonic systems and, at least formally, time-dependent situations as well as the stationary case. In the second part of this work we analyze the transport properties of quantum dots in several physical situations. First, we study the ""easiest"" case, namely we apply the non-equilibrium FRG formalism to the SIAM with finite bias voltage V_B in the stationary state at T=0. Here, we can test the technique by comparing it to available exact results for the linear response regime V_B = 0. As next step we switch on an external magnetic field B and the temperature T in order to observe the effect of these two parameters on the transport properties of a quantum dot. The comparison to known results for V_B = 0 allows us to critically survey the range of applicability of the Non-equilibrium FRG and the accuracy of the results.
We investigate nonequilibrium properties of the single-impurity Anderson model by means of the functional renormalization group (fRG) within Keldysh formalism. We present how the level broadening $\ensuremath{\Gamma}/2$ can be used as flow parameter for the fRG. This choice preserves important aspects of the Fermi-liquid behavior that the model exhibits in case of particle-hole symmetry. An approximation scheme for the Keldysh fRG is developed which accounts for the frequency dependence of the two-particle vertex in a way similar but not equivalent to a recently published approximation to the equilibrium Matsubara fRG. Our method turns out to be a flexible tool for the study of weak to intermediate on-site interactions $U\ensuremath{\lesssim}3\ensuremath{\Gamma}$. In equilibrium we find excellent agreement with numerical RG results for the linear conductance at finite gate voltage, magnetic field, and temperature. In nonequilibrium, our results for the current agree well with time-dependent density-matrix RG. For the nonlinear conductance as function of the bias voltage, we propose reliable results at finite magnetic field and finite temperature. Furthermore, we demonstrate the exponentially small scale of the Kondo temperature to appear in the second-order derivative of the self-energy. We show that the approximation is, however, not able to reproduce the scaling of the effective mass at large interactions.
We investigate equilibrium and steady-state nonequilibrium transport properties of a spinless resonant level locally coupled to two conduction bands of width $\ensuremath{\sim}\ensuremath{\Gamma}$ via a Coulomb interaction UUU and a hybridization ${t}^{\ensuremath{'}}$. In order to study the effects of finite bias voltages beyond linear response, a generalization of the functional renormalization group to Keldysh frequency space is employed. Being mostly unexplored in the context of quantum impurity systems out of equilibrium, we benchmark this method against recently published time-dependent density matrix renormalization group data. We thoroughly investigate the scaling limit $\ensuremath{\Gamma}\ensuremath{\rightarrow}\ensuremath{\infty}$ characterized by the appearance of power laws. Most importantly, at the particle-hole symmetric point the steady-state current decays like $J\ensuremath{\sim}{V}^{\ensuremath{-}{\ensuremath{\alpha}}_{J}}$ as a function of the bias voltage $V⪢{t}^{\ensuremath{'}}$, with an exponent ${\ensuremath{\alpha}}_{J}(U)$ that we calculate to leading order in the Coulomb interaction strength. In contrast, we do not observe a pure power-law (but more complex) current-voltage-relation if the energy ϵϵϵ of the resonant level is pinned close to either one of the chemical potentials $\ifmmode\pm\else\textpm\fi{}V/2$.
The Anderson Impurity Model is a generic model to describe systems in which one or more energy levels are coupled to an electronic host. On the energy levels the electrons are subject to a Coulomb interaction. Possible applications of this model are magnetic atoms in a metal or quantum dot systems. Already for one impurity it displays very interesting physics including the well known Kondo effect. For two and more impurities the properties of the system in the local moment regime are determined by an interplay of the Kondo effect and the coupling between the impurity spins. Due to the interplay of multiple energy scales, this model poses a serious task for any computational tool. For a single impurity the model can be very efficiently treated using Wilson"s numerical renormalization group (NRG). Since the numerical effort of NRG calculations rises exponentially with the number of impurities, generically it cannot be applied to systems with more than two impurities. The functional renormalization group (fRG) has been very successfully applied to quantum impurity problems in the past. In this work it will be used to calculate the single-particle dynamics for Anderson-like quantum impurity systems in equilibrium. A comparison to NRG in the case of a single impurity will serve as a benchmark before systems with two impurities and quantum dot systems with two and three dots will be studied. The interplay between the Kondo effect and magnetic and orbital ordering will be investigated in these systems. Although the truncation in the presented fRG scheme is motivated by second order perturbation theory, it will be shown that fRG works also in those cases where perturbation theory fails. Generally it will turn out that fRG is capable of treating a broad variety of Anderson impurity systems within the same framework, including asymmetric impurity levels and interaction between multiple impurities.
This thesis comprises two parts centered around the functional renormalization-group framework: in the first part, I study the role of symmetries and conservation laws in approximate solutions, while in the second part I analyze Friedel oscillations and transport in Luttinger liquids with impurities. The functional renormalization group (fRG) has been developed as a new computational tool in the theory of interacting Fermi systems. The effective behavior of a given microscopic model is calculated by solving coupled differential flow equations for the Green functions with an energy scale as the flow parameter. The symmetries of the microscopic model imply Ward identities between Green and response functions. It is shown that solutions of truncated flow-equation hierarchies satisfy Ward identities if the cutoff bare action is gauge invariant. However, truncations are generally not self-consistent approximations in the sense of Baym and Kadanoff. The fRG is then applied to study Luttinger liquids. By computing the full spatial effective potential of a single impurity, long-range Friedel oscillations are observed in the density profile with the expected power laws for systems with up to 10^7 lattice sites. For a double barrier enclosing a dot region we find temperature regimes in which the conductance follows power laws with universal exponents, as well as non-universal crossover regimes in intermediate parameter regions.