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Physical review. B./Physical review. B

Numerical study of the Kondo cloud using finite-U slave bosons

L. Costa Ribeiro, George Balster Martins, G. Gómez-Silva, E. V. Anda

Published Feb 26, 2019• 12 citations
Publisher

Abstract

In this work, using the finite-U slave boson mean-field approximation to solve the single-impurity Anderson model, the authors apply two different strategies to study the Kondo cloud, by analyzing quantities that are dependent on the distance to the magnetic impurity and then finding a universal distance scale ${\ensuremath{\xi}}_{K}$ through the collapse of the results into an universal function. The first method is based on the analysis of the local density of states of the conduction electrons (denoted as ${\ensuremath{\xi}}_{K}^{L})$, while the second relies on the analysis of spin correlations $({\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}})$. Our calculations show that there is exact quantitative agreement, in the way ${\ensuremath{\xi}}_{K}$ depends on $U/\mathrm{\ensuremath{\Gamma}}$, between ${\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}}$ and the results obtained through the heuristic expression ${\ensuremath{\xi}}_{K}\ensuremath{\propto}{v}_{F}/{T}_{K}$, while there is very close quantitative agreement between ${\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}}$ and ${\ensuremath{\xi}}_{K}^{L}$. The use of the slave boson technique to calculate the spin correlations, which eliminates finite size effects, allowed us to study very large Kondo clouds, something that is very difficult using other techniques, like the density matrix renormalization Group method, for example. In addition, the very smooth curves obtained for the spin correlations allowed us to qualitatively identify a region in the Kondo cloud, adjacent to the impurity, that had been connected to the free orbital fixed point in previous numerical renormalization group calculations [Phys. Rev. B 84, 115120 (2011)].

DOI
10.1103/physrevb.99.085139

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In this work, using the finite-U slave boson mean-field approximation to solve the single-impurity Anderson model, the authors apply two different strategies to study the Kondo cloud, by analyzing quantities that are dependent on the distance to the magnetic impurity and then finding a universal distance scale \ensuremathξK{\ensuremath{\xi}}_{K}\ensuremathξK​ through the collapse of the results into an universal function. The first method is based on the analysis of the local density of states of the conduction electrons (denoted as \ensuremathξKL){\ensuremath{\xi}}_{K}^{L})\ensuremathξKL​), while the second relies on the analysis of spin correlations (\ensuremathξK\ensuremathΣ)({\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}})(\ensuremathξK\ensuremathΣ​). Our calculations show that there is exact quantitative agreement, in the way \ensuremathξK{\ensuremath{\xi}}_{K}\ensuremathξK​ depends on U/\ensuremathΓU/\mathrm{\ensuremath{\Gamma}}U/\ensuremathΓ, between \ensuremathξK\ensuremathΣ{\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}}\ensuremathξK\ensuremathΣ​ and the results obtained through the heuristic expression \ensuremathξK\ensuremath∝vF/TK{\ensuremath{\xi}}_{K}\ensuremath{\propto}{v}_{F}/{T}_{K}\ensuremathξK​\ensuremath∝vF​/TK​, while there is very close quantitative agreement between \ensuremathξK\ensuremathΣ{\ensuremath{\xi}}_{K}^{\mathrm{\ensuremath{\Sigma}}}\ensuremathξK\ensuremathΣ​ and \ensuremathξKL{\ensuremath{\xi}}_{K}^{L}\ensuremathξKL​. The use of the slave boson technique to calculate the spin correlations, which eliminates finite size effects, allowed us to study very large Kondo clouds, something that is very difficult using other techniques, like the density matrix renormalization Group method, for example. In addition, the very smooth curves obtained for the spin correlations allowed us to qualitatively identify a region in the Kondo cloud, adjacent to the impurity, that had been connected to the free orbital fixed point in previous numerical renormalization group calculations [Phys. Rev. B 84, 115120 (2011)].
We analyze the spatial correlation structure of the spin density of an electron gas in the vicinity of an antiferromagnetically coupled Kondo impurity. Our analysis extends to the regime of spin-anisotropic couplings, where there are no quantitative results for spatial correlations in the literature. We use an original and numerically exact method, based on a systematic coherent-state expansion of the ground state of the underlying spin-boson Hamiltonian. It has not yet been applied to the computation of observables that are specific to the fermionic Kondo model. We also present an important technical improvement to the method that obviates the need to discretize modes of the Fermi sea, and allows one to tackle the problem in the thermodynamic limit. As a result, one can obtain excellent spatial resolution over arbitrary length scales, for a relatively low computational cost, a feature that gives the method an advantage over popular techniques such as the numerical and density-matrix renormalization groups. We find that the anisotropic Kondo model shows rich universal scaling behavior in the spatial structure of the entanglement cloud. First, SU(2) spin-symmetry is dynamically restored in a finite domain in the parameter space in the vicinity of the isotropic line, as expected from poor man's scaling. More surprisingly, we are able to obtain in closed analytical form a set of different, yet universal, scaling curves for strong exchange asymmetry, which are parametrized by the longitudinal exchange coupling. Deep inside the cloud, i.e., for distances smaller than the Kondo length, the correlation between the electron spin density and the impurity spin oscillates between ferromagnetic and antiferromagnetic values at the scale of the Fermi wavelength, an effect that is drastically enhanced at strongly anisotropic couplings. Our results also provide further numerical checks and alternative analytical approximations for the Kondo overlaps that were recently computed by Lukyanov, Saleur, Jacobsen, and Vasseur [Phys. Rev. Lett. 114, 080601 (2015)].
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 analyze the single-channel Kondo model using the recently developed unitary renormalization-group (URG) method and obtain a comprehensive understanding of the Kondo screening cloud. The fixed-point low-energy Hamiltonian enables the computation of a plethora of thermodynamic quantities (specific heat, susceptibility, Wilson ratio, etc.) as well as spectral functions, all of which are found to be in good agreement with known results. By integrating out the impurity, we obtain an effective Hamiltonian for the excitations of the electrons comprising the Kondo cloud. This is found to contain both kkk-space number diagonal (Fermi liquid) and off-diagonal four-fermion scattering terms. Our conclusions are reinforced by a URG study of the two-particle entanglement and many-body correlations among members of the Kondo cloud and impurity. The entanglement between the impurity and a cloud electron, as well as between any two cloud electrons, is found to increase under flow towards the singlet ground state at the strong-coupling fixed point. Both the number diagonal and off-diagonal correlations within the conduction cloud are also found to increase as the impurity is screened under the flow, and the latter are found to be responsible for the macroscopic entanglement of the Kondo-singlet ground state. The URG flow enables an analytic computation of the phase shifts suffered by the conduction electrons at the strong-coupling fixed point. This reveals an orthogonality catastrophe between the local-moment and strong-coupling ground states and is related to a change in the Luttinger volume of the conduction bath under the crossover to strong coupling. Our results offer fresh insight into the nature of the emergent many-particle entanglement within the Kondo cloud and pave the way for further investigations in more exotic contexts such as the fixed point of the overscreened multichannel Kondo problem.
A magnetic moment in a metal or in a quantum dot is, at low temperatures, screened by the conduction electrons through the mechanism of the Kondo effect. This gives rise to spin-spin correlations between the magnetic moment and the conduction electrons, which can have a substantial spatial extension. We study this phenomenon, the so-called Kondo cloud, by means of the density matrix renormalization group method for the case of the single-impurity Anderson model. We focus on the question whether the Kondo screening length, typically assumed to be proportional to the inverse Kondo temperature, can be extracted from the spin-spin correlations. For several mechanisms---the gate potential and a magnetic field---which destroy the Kondo effect, we investigate the behavior of the screening cloud induced by these perturbations.
We analyze the single-channel Kondo model using the recently developed unitary renormalization group (URG) method, and obtain a comprehensive understanding of the Kondo screening cloud. The fixed-point low-energy Hamiltonian enables the computation of a plethora of thermodynamic quantities (specific heat, susceptibility, Wilson ratio, etc.) as well as spectral functions, all of which are found to be in excellent agreement with known results. By integrating out the impurity, we obtain an effective Hamiltonian for the excitations of the electrons comprising the Kondo cloud. This is found to contain both k-space number-diagonal (Fermi liquid) as well off-diagonal four-fermion scattering terms. Our conclusions are reinforced by a URG study of the two-particle entanglement and many-body correlations among members of the Kondo cloud and impurity. The entanglement between the impurity and a cloud electron, as well as between any two cloud electrons, is found to increase under flow towards the singlet ground state at the strong-coupling fixed point. Both the number-diagonal and off-diagonal correlations within the conduction cloud are also found to increase as the impurity is screened under the flow, and the latter are found to be responsible for the macroscopic entanglement of the Kondo-singlet ground state. The unitary RG flow enables an analytic computation of the phase shifts suffered by the conduction electrons at the strong-coupling fixed point. This reveals an orthogonality catastrophe between the local moment and strong-coupling ground states, and is related to a change in the Luttinger volume of the conduction bath. Our results offer fresh insight on the nature of the emergent many-particle entanglement within the Kondo cloud, and pave the way for further investigations in more exotic contexts such as the fixed point of the over-screened multi-channel Kondo problem.
A magnetic moment in a metal or in a quantum dot is, at low temperatures, screened by the conduction electrons through the mechanism of the Kondo effect. This gives rise to spin-spin correlations between the magnetic moment and the conduction electrons, which can have a substantial spatial extension. We study this phenomenon, the so-called Kondo cloud, by means of the density matrix renormalization group method for the case of the single-impurity Anderson model. We focus on the question whether the Kondo screening length, typically assumed to be proportional to the inverse Kondo temperature, can be extracted from the spin-spin correlations. For several mechanisms -- the gate potential and a magnetic field -- that destroy the Kondo effect, we investigate the behavior of the screening cloud induced by these perturbations.