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arXiv:0801.4496 · Europhysics Letters (EPL)

Barnes slave-boson approach to the two-site single-impurity Anderson model with non-local interaction

Raymond Frésard, Henni Ouerdane, Thilo Kopp

Published Apr 17, 2008• 7 citations
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Abstract

The Barnes slave-boson approach to the U =∞ single-impurity Anderson model extended by a non-local Coulomb interaction is revisited. We demonstrate first that the radial gauge representation facilitates the treatment of such a non-local interaction by performing the exact evaluation of the path integrals representing the partition function, the impurity hole density and the impurity hole density autocorrelation function for a two-site cluster. The free energy is also obtained on the same footing. Next, the exact results are compared to their approximations at saddle-point level, and it is shown that the saddle point evaluation recovers the exact answer in the limit of strong non-local Coulomb interaction, while the agreement between both schemes remains satisfactory in a large parameter range.

DOI
10.1209/0295-5075/82/31001

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•Jan 1, 2014•0 citations
The Barnes slave-boson approach to the U =∞ single-impurity Anderson model extended by a non-local Coulomb interaction is revisited. We demonstrate first that the radial gauge representation facilitates the treatment of such a non-local interaction by performing the exact evaluation of the path integrals representing the partition function, the impurity hole density and the impurity hole density autocorrelation function for a two-site cluster. The free energy is also obtained on the same footing. Next, the exact results are compared to their approximations at saddle-point level, and it is shown that the saddle point evaluation recovers the exact answer in the limit of strong non-local Coulomb interaction, while the agreement between both schemes remains satisfactory in a large parameter range.
We revisit the Kotliar-Ruckenstein (KR) slave boson saddle point evaluation for a two-site correlated electron model. As the model can be solved analytically, it is possible to compare the KR saddle point results with the exact many-particle levels. The considered two-site cluster mimics an infinite-UUU single-impurity Anderson model with a nearest-neighbor Coulomb interaction: one site is strongly correlated with an infinite local Coulomb repulsion, which hybridizes with the second site, on which the local Coulomb repulsion vanishes. Making use of the flexibility of the representation, we introduce appropriate weight factors in the KR saddle point scheme. Ground-state and all excitation levels agree with the exact diagonalization results. Thermodynamics and correlation functions may be recovered in a suitably renormalized saddle point evaluation.
Abstract Radial slave boson representations have the particular advantage that the expectation values of their respective fields are finite even without the formal introduction of spurious Bose condensates for each of the bosonic fields. The expectation values of the radial (real) fields are in fact to be interpreted as the density of empty or singly occupied sites. Whereas the radial representation of the Barnes slave bosons has been investigated before, a setup for the functional integral of radial bosonic fields in the more physical Kotliar‐Ruckenstein representation has not been accomplished to date. We implement a path integral procedure with suitable renormalization factors for a strongly correlated two‐site model which allows to control the formal steps in the intricate evaluation, as the results for the partition function and the expectation values are known from exact diagonalization for such a minimal single impurity Anderson model. The partition function is shown to be a trace over a product of matrices local in time and therefore can be calculated analytically. Eventually, we establish the scheme for the evaluation of correlation functions and thermodynamic properties.
Abstract The functional integral formulation of the Hubbard model when treated in its Kotliar‐Ruckenstein representation in the radial gauge involves fermionic, as well as complex and radial slave boson fields. In order to improve on the understanding of the interplay of the three types of fields, and on the nature of the latter, a comprehensive investigation of an exactly solvable two‐site cluster is performed, as it entails all pitfalls embodied in this approach. It is first shown that the exact partition function is recovered, even when incorporating in the calculation the square root factors that are at the heart of the representation, when suitably regularized. It is shown that using radial slave boson fields allows to overcome all hurdles following from the normal ordering procedure. It is then demonstrated that this applies to the Green's function as well, and to the correlation functions of physical interest, thereby answering the criticisms raised by Schönhammer [K. Schönhammer, Phys. Rev. B 1990 42, 2591]. In addition, the investigation generalizes the calculations to the Hubbard model extended by a non‐local Coulomb interaction.
The Anderson impurity model for finite values of the Coulomb repulsion U is studied using a slave-boson representation for the empty and doubly occupied f level. In order to avoid well-known problems with a naive mean-field theory for the boson fields, we use the coherent-state-path integral representation to first integrate out the double-occupancy slave bosons. The resulting effective action is linearized using two-time auxiliary fields. After integration over the fermionic degrees of freedom, one obtains an effective action suitable for a 1/Nf{\mathit{N}}_{\mathit{f}}Nf​ expansion. The same problem remains concerning the constraint as in the infinite U case. For T\ensuremath{\rightarrow}0 and Nf{\mathit{N}}_{\mathit{f}}Nf​\ensuremath{\rightarrow}\ensuremath{\infty}, exact results for the ground-state properties are recovered in the saddle-point approximation. Numerical solutions of the saddle-point equations show that even in the spin-degenerate case Nf{\mathit{N}}_{\mathit{f}}Nf​=2 the results are quite good.
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.