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arXiv:1602.06120 · Physical review. B./Physical review. B

Renormalization group flow of the Luttinger-Ward functional: Conserving approximations and application to the Anderson impurity model

J. F. Rentrop, V. Meden, Severin G. Jakobs

Published May 31, 2016• 21 citations
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Abstract

We study the renormalization group flow of the Luttinger-Ward functional and of its two-particle-irreducible vertex functions, given a cutoff in the two-particle interaction. We derive a conserving approximation to the flow and relate it to the fluctuation exchange approximation as well as to nonconserving approximations introduced in an earlier publication [J. F. Rentrop, S. G. Jakobs, and V. Meden, J. Phys. A: Math. Theor. 48, 145002 (2015)]. We apply the different approximate flow equations to the single-impurity Anderson model in thermal equilibrium at vanishing temperature. Numerical results for the effective mass, the spin susceptibility, the charge susceptibility, and the linear conductance reflect the similarity of the methods to the fluctuation exchange approximation. We find the majority of the approximations to deviate stronger from the exact results than one-particle-irreducible functional renormalization group schemes. However, we identify a simple static two-particle-irreducible flow scheme which performs remarkably well and produces an exponential Kondo-like scale in the renormalized level position.

DOI
10.1103/physrevb.93.195160

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We study the renormalization group flow of the Luttinger-Ward functional and of its two-particle-irreducible vertex functions, given a cutoff in the two-particle interaction. We derive a conserving approximation to the flow and relate it to the fluctuation exchange approximation as well as to nonconserving approximations introduced in an earlier publication [J. F. Rentrop, S. G. Jakobs, and V. Meden, J. Phys. A: Math. Theor. 48, 145002 (2015)]. We apply the different approximate flow equations to the single-impurity Anderson model in thermal equilibrium at vanishing temperature. Numerical results for the effective mass, the spin susceptibility, the charge susceptibility, and the linear conductance reflect the similarity of the methods to the fluctuation exchange approximation. We find the majority of the approximations to deviate stronger from the exact results than one-particle-irreducible functional renormalization group schemes. However, we identify a simple static two-particle-irreducible flow scheme which performs remarkably well and produces an exponential Kondo-like scale in the renormalized level position.
An essential role for the description of correlated quantum many-particle systems is played by impurity problems. These consist of a small number of localized orbitals, where the electrons are subject to a Coulomb-interaction, coupled to noninteracting bath degrees of freedom. Impurity models are used for the description of magnetic impurities in metals, of quantum points in nanostructures, and in the context of the dynamical mean field theory (DMFT). For their solution a large number of numerical methods exists. We mention here quantum Monte Carlo methods, the numerical renormalization group, or the exact diagonalization method. In this thesis we introduce a new approach to impurity problems, which is based on the functional renormalization group (fRG). In contrast to the methods mentioned above this approach is approximative, but it can be applied with comparatively lower numerical effort. The aim of this thesis is to examine the advantages and limits of this method. An important role in this connection is played by the single impurity Anderson model (SIAM), which is already understood very well with other methods and is seen as a prototype for models with strong local correlations. The spin fluctuations of this model are governed by the so-called Kondo energy scale and a central question of this thesis is whether this scale can be reproduced with our approach. We begin with a short introduction to the Green's function formalism for correlated quantum many particle systems. Then the fRG flow equations for the one-particle irreducible vertex functions are deduced, and several approximation schemes are discussed. In chapter 4 we introduce the fRG scheme used in this thesis. At first the SIAM is mapped to a semi-infinite chain, in which the interacting orbital is given by the first site of this chain. The system is then subdivided into two parts. The first part, which is called 'core', consists of the interacting orbital and the first L bath sites. The remaining bath sites form the second part. At the beginning both parts are decoupled from each other such that the core can be solved exactly. Starting with this exact solution the coupling between the core and the remaining bath sites is switched on slowly in a renormalization group flow. This way it is possible to calculate the one-particle and two-particle correlation functions on the correlated site. We call this flow scheme 'hybridization flow'. The flow equations are formulated in an effective theory on the first bath site outside the core, which turns out to be advantageous compared to other implementations of the hybridization flow. In chapter 5 this hybridization flow method is applied to the SIAM with semi-elliptic bath density of states. We discuss the differences which arise for different core-sizes (L = 0,1,2,3) and for different truncations of the fRG flow equations. In the cases L=0 and L=2 the local Fermi liquid properties of the SIAM and the associated Kondo scale can not be reproduced in both approximation schemes. For the core sizes L=1 and L=3 the ground state of the core is already a spin singlet state in the beginning of the flow and the Fermi liquid properties are reproduced. The Kondo energy scale, which determines the width of the central quasi-particle peak and the size of the local spin-susceptibility, is however not accurately resolved. This is partly due to the finite temperature used in our implementation such that for larger interaction strength the temperature is above the Kondo energy scale. The application of the hybridization flow method to quantum impurity problems in the context of the DMFT is discussed in chapter 6. In this approach lattice models with a local interaction, like the Hubbard model, are mapped to an effective impurity problem for a single lattice site embedded in a dynamical mean field representing the influence of the other electrons. This scheme is exact in infinitely many dimensions and a nonperturbative approximation method for finite-dimensional systems. In particular the Mott metal-insulator transition in the Hubbard model is successfully described by this method. One class of quantities, which is easily accessible from the hybridization flow scheme, is given by the local two-particle correlation functions. These play an essential role in non-local extensions of the DMFT. Therefore we mainly focus on these quantities. At first we apply our flow scheme to the Hubbard model on the Bethe lattice in infinite dimensions and calculate the local one-particle irreducible vertex functions in the insulating and the metallic phase in good agreement with previous calculations, which use the exact diagonalization method as impurity solver. After this we extend our flow scheme to a cluster DMFT method, which includes short-range antiferromagnetic correlations and calculate again the local and non-local vertex functions for the two-dimensional Hubbard model. We compare these to the results of the single-site DMFT.
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.
Using functional methods and the exact renormalization group we derive Ward identities for the Anderson impurity model. In particular, we present a non-perturbative proof of the Yamada–Yosida identities relating certain coefficients in the low-energy expansion of the self-energy to the thermodynamic particle number and spin susceptibilities of the impurity. Our proof underlines the relation of the Yamada–Yosida identities to the U (1) × U (1) symmetry associated with the particle number and spin conservation in a magnetic field.
We show that the functional renormalization group is a numerically cheap method to obtain the low-energy behavior of the Anderson impurity model describing a localized impurity level coupled to a bath of conduction electrons. Our approach uses an external magnetic field as the flow parameter, partial bosonization of the transverse spin fluctuations, and frequency-independent interaction vertices determined by Ward identities. The magnetic field serves also as a regulator for the bosonized spin fluctuations, which are suppressed at large field. We calculate the quasiparticle residue and spin susceptibility in the particle-hole symmetric case and obtain excellent agreement with the Bethe ansatz results for arbitrary coupling.
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.
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.