The local moment approach is extended to the orbitally degenerate (SU(2N)) Anderson impurity model (AIM). Single-particle dynamics are obtained over the full range of energy scales, focusing on particle-hole symmetry in the strongly-correlated regime where the onsite Coulomb interaction leads to many-body Kondo physics with entangled spin and orbital degrees of freedom. The approach captures many-body broadening of the Hubbard satellites and recovers the correct exponential vanishing of the Kondo scale for all N, and its universal scaling spectra are found to be in very good agreement with numerical renormalization group (NRG) results. In particular the high-frequency logarithmic decays of the scaling spectra, obtained here in closed form for arbitrary N, coincide essentially perfectly with available numerics from the NRG. A particular case of an anisotropic Coulomb interaction, in which the model represents a system of N 'capacitively coupled' SU(2) AIMs, is also discussed. Here the model is generally characterized by two low-energy scales, the crossover between which is seen directly in its dynamics.
The local moment approach is extended to the orbitally degenerate (SU(2N)) Anderson impurity model (AIM). Single-particle dynamics are obtained over the full range of energy scales, focusing on particle-hole symmetry in the strongly-correlated regime where the onsite Coulomb interaction leads to many-body Kondo physics with entangled spin and orbital degrees of freedom. The approach captures many-body broadening of the Hubbard satellites and recovers the correct exponential vanishing of the Kondo scale for all N, and its universal scaling spectra are found to be in very good agreement with numerical renormalization group (NRG) results. In particular the high-frequency logarithmic decays of the scaling spectra, obtained here in closed form for arbitrary N, coincide essentially perfectly with available numerics from the NRG. A particular case of an anisotropic Coulomb interaction, in which the model represents a system of N 'capacitively coupled' SU(2) AIMs, is also discussed. Here the model is generally characterized by two low-energy scales, the crossover between which is seen directly in its dynamics.
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.
The local moment approach (LMA) has presented itself as a powerful semianalytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low-energy Kondo scale for the single impurity model, having excellent agreement with the Bethe ansatz and numerical renormalization group (NRG) results. However, the most common correlated lattice model, the Hubbard model, has not been explored well within the LMA+DMFT framework beyond the insulating phase. Here in our work, within the framework we complete the filling-interaction phase diagram of the single band Hubbard model at zero temperature. Our formalism is generic to any particle filling and can be extended to finite temperature. We contrast our results with another QIS, namely the iterated perturbation theory (IPT) and show that the second spectral moment sum rule improves better as the Hubbard interaction strength grows stronger in LMA, whereas it severely breaks down after the Mott transition in IPT. For the metallic case, the Fermi liquid (FL) scaling agreement with the NRG spectral density supports the fact that the FL scale emerges from the inherent Kondo physics of the impurity model. We also show that, in the metallic phase, the FL scaling of the spectral density leads to universality which extends to infinite frequency range at infinite correlation strength (strong coupling). At large interaction strength, the off half-filling spectral density forms a pseudogap near the Fermi level and filling-controlled Mott transition occurs as one approaches the half-filling. As a response property, we finally study the zero temperature optical conductivity and find universal features such as absorption peak position governed by the FL scale and a doping independent crossing point, often dubbed the isosbestic point in experiments.
Single-particle dynamics of the Anderson impurity model in the presence of a magnetic field H are considered, using a recently developed local moment approach that encompasses all energy scales, field and interaction strengths. For strong coupling in particular, the Kondo scaling regime is recovered. Here the frequency (ω/ω K ) and field ( H /ω K ) dependence of the resultant universal scaling spectrum is obtained in large part analytically, and the field-induced destruction of the Kondo resonance investigated. The scaling spectrum is found to exhibit the slow logarithmic tails recently shown to dominate the zero-field scaling spectrum. At the opposite extreme of the Fermi level, it gives asymptotically exact agreement with results for statics known from the Bethe ansatz. Good agreement is also found with the frequency and field-dependence of recent numerical renormalization group calculations. Differential conductance experiments on quantum dots in the presence of a magnetic field are likewise considered, and appear to be well accounted for by the theory. Some new exact results for the problem are also established.
Quantum impurity models with strong electron correlations, such as the paradigmatic Anderson Impurity Model (AIM), are central to our understanding of a range of physical phenomena including local moment formation, Coulomb blockade and Kondo screening. They describe magnetic atoms and molecules on surfaces, quantum dot circuits, and correlated materials through dynamical mean field theory. The physics of such systems in strongly non-equilibrium conditions is particularly complex and challenging to capture, whereas Gaussian models of free fermions can be easily solved. Here we show that the time-evolving dynamics of the AIM after a quench can be described by a completely non-interacting version of the model, at the expense of coupling to additional static auxiliary degrees of freedom. Starting from the full solution of the quenched AIM using ED and DMRG, we study the properties of this mapping using numerical optimization, and uncover intriguing structure in the auxiliary system. The method allows us to understand interacting non-equilibrium dynamics through the simpler lens of an effective non-interacting system of larger dimension.
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.
We generalize Nozi\`eres' Fermi-liquid theory for the low-energy behavior of the Kondo model to that of the single-impurity Anderson model. In addition to the electrons' phase shift at the Fermi energy, the low-energy Fermi-liquid theory is characterized by four Fermi-liquid parameters: the two given by Nozi\`eres that enter to first order in the excitation energy, and two additional ones that enter to second order and are needed away from particle-hole symmetry. We express all four parameters in terms of zero-temperature physical observables, namely the local charge and spin susceptibilities and their derivatives with respect to the local level position. We determine these in terms of the bare parameters of the Anderson model using Bethe ansatz and numerical renormalization group (NRG) calculations. Our low-energy Fermi-liquid theory applies throughout the crossover from the strong-coupling Kondo regime via the mixed-valence regime to the empty-orbital regime. From the Fermi-liquid theory, we determine the conductance through a quantum dot symmetrically coupled to two leads in the regime of small magnetic field, low temperature, and small bias voltage, and compute the coefficients of the $\ensuremath{\sim}{B}^{2}, \ensuremath{\sim}{T}^{2}$, and $\ensuremath{\sim}{V}^{2}$ terms exactly in terms of the Fermi-liquid parameters. The coefficients of T2,V2, and B2 are found to change sign during the Kondo to empty-orbital crossover. The crossover becomes universal in the limit that the local interaction is much larger than the level width. For completeness, we also compute the shot noise and discuss the resulting Fano factor.