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arXiv:1911.08279 · Physical review. B./Physical review. B

Symmetric single-impurity Kondo model on a tight-binding chain: Comparison of analytical and numerical ground-state approaches

Gergely Barcza, Kevin Bauerbach, Fabian Eickhoff, Frithjof B. Anders, Florian Gebhard, Örs Legeza

Published Feb 24, 2020• 9 citations
arXivHTMLPDF

Abstract

The Kondo model describes a magnetic impurity in a metallic host. Here, the authors use variational approaches (Lanczos, Yosida, Gutzwiller) and quasi-exact numerical techniques (numerical renormalization group, density matrix renormalization group) to study the ground-state energy and magnetization, and compare these properties to Bethe ansatz results. The Gutzwiller wave function is an excellent trial state for strong coupling. For weak coupling, the numerical renormalization group gives the best description of the magnetic properties. A combination of Bethe ansatz and perturbation theory provides new benchmark results for the zero-field susceptibility.

DOI
10.1103/physrevb.101.075132

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Impurity models describe localized impurities interacting with the spins of electrons. Strong correlations lead to non-trivial behaviours of the model. In this work we present 3 different impurity models: (1) the single-impurity Kondo model; (2) the two-impurity Kondo model; (3) the two-channel Kondo model. For each model we present a spin chain emulation and utilize the density matrix renormalization group (DMRG). We study the magnetization and zero-temperature susceptibility of the impurity when a local magnetic field is applied. We get the expected relations theoretically.

Kuwait Journal of Science•Jun 5, 2024•1 citation
The Kondo model describes a magnetic impurity in a metallic host. Here, the authors use variational approaches (Lanczos, Yosida, Gutzwiller) and quasi-exact numerical techniques (numerical renormalization group, density matrix renormalization group) to study the ground-state energy and magnetization, and compare these properties to Bethe ansatz results. The Gutzwiller wave function is an excellent trial state for strong coupling. For weak coupling, the numerical renormalization group gives the best description of the magnetic properties. A combination of Bethe ansatz and perturbation theory provides new benchmark results for the zero-field susceptibility.
We analyze the ground-state energy, magnetization, magnetic susceptibility, and Kondo screening cloud of the symmetric single-impurity Anderson model (SIAM) that is characterized by the bandwidth WWW, the impurity interaction strength UUU, and the local hybridization VVV. We compare Gutzwiller variational and magnetic Hartree-Fock results in the thermodynamic limit with numerically exact data from the density-matrix renormalization group (DMRG) method on large rings. To improve the DMRG performance, we use a canonical transformation to map the SIAM onto a chain with half the system size and open boundary conditions. We compare to Bethe ansatz results for the ground-state energy, magnetization, and spin susceptibility that become exact in the wide-band limit. Our detailed comparison shows that the field-theoretical description is applicable to the SIAM on a ring for a broad parameter range. Hartree-Fock theory gives an excellent ground-state energy and local moment for intermediate and strong interactions. However, it lacks spin fluctuations and thus cannot screen the impurity spin. The Gutzwiller variational energy bound becomes very poor for large interactions because it does not describe properly the charge fluctuations. Nevertheless, the Gutzwiller approach provides a qualitatively correct description of the zero-field susceptibility and the Kondo screening cloud. The DMRG provides excellent data for the ground-state energy and the magnetization for finite external fields. At strong interactions, finite-size effects make it extremely difficult to recover the exponentially large zero-field susceptibility and the mesoscopically large Kondo screening cloud.
By making use of the Lanczos and the density-matrix renormalization-group methods, we study the zero-temperature properties of a spin-1/2 antiferromagnetic Heisenberg chain system with a spin-1/2 magnetic impurity symmetrically coupled to its two nearest-neighbor spins. A comparison is made with the results for a magnetic impurity coupled only to the nearest-neighbor spin in the chain. The binding energy and the spin correlations are calculated. The matrix elements of the impurity spin operators are also calculated between several low-energy states. By carefully analyzing finite-size effects, we show that the dynamical structure factor of the impurity contains a \ensuremath{\delta}-function contribution at zero frequency which does not vanish in the thermodynamic limit for the case of symmetrical coupling. This indicates a partial decoupling of the impurity spin from the spins in the chain, and therefore the impurity susceptibility is predicted to show a Curie behavior. This contradicts the two-channel Kondo behavior suggested from analytic considerations.
A Bethe ansatz solution of a (modified) Hubbard chain with a Kondo impurity of arbitrary spin S at a highly symmetric line of parameter space is proposed and explored. Our results confirm the existence of a strong-coupling (line of) fixed-point(s) with ferromagnetic Kondo coupling as first hypothetized by Furusaki and Nagaosa on the basis of perturbative renormalization group calculations. For on-site Hubbard repulsion and ferromagnetic Kondo exchange, the ground state has spin S − 1/2, i.e. , is a singlet when S = 1/2. The contributions of the impurity to the magnetic susceptibility and low-temperature specific heat are discussed. While the Wilson ratio is unity in the half-filled band, it is found to be a function of density and interaction away from half-filling.
The Kondo effect in a one-dimensional spin-12\frac{1}{2}21​ XXZ\mathrm{XXZ}XXZ model in the gapless XY\mathrm{XY}XY regime $(\ensuremath{-}1<\ensuremath{\Delta}<~1)$ is studied both analytically and numerically. In our model an impurity spin (S=1/2)(S=1/2)(S=1/2) is coupled to a single spin in the XXZ\mathrm{XXZ}XXZ spin chain. Perturbative renormalization-group (RG) analysis is performed for various limiting cases to deduce low-energy fixed points. It is shown that in the ground state the impurity spin is screened by forming a singlet with a spin in the host XXZ\mathrm{XXZ}XXZ chain. In the antiferromagnetic side $(0<\ensuremath{\Delta}<~1)$ the host chain is cut into two semi-infinite chains by the singlet. In the ferromagnetic side $(\ensuremath{-}1<\ensuremath{\Delta}<0),$ on the other hand, the host XXZ\mathrm{XXZ}XXZ chain remains as a single chain through ``healing'' of a weakened bond in the low-energy (long-distance) limit. The density-matrix renormalization-group method is used to study the size scaling of finite-size energy gaps and the power-law decay of correlation functions in the ground state. The numerical results are in good agreement with the predictions of the RG analysis. Low-temperature behaviors of specific heat and susceptibility are also discussed.
It is well known that the free electron Kondo problem can be described by a one-dimensional (1D) model because only the s-wave part of the electronic wavefunction is affected by the Kondo coupling. Moreover, since only the spin degrees of freedom are involved in the Kondo interaction, and due to spin–charge separation in 1D, the universal low energy long distance physics of the Kondo model also arises when a magnetic impurity is coupled to the end of a gapless antiferromagnetic J 1 –J 2 spin- chain, where J 1 ( J 2 ) is the (next) nearest neighbor coupling. Experimental realizations of such spin chain models are possible and, using various analytical and numerical techniques, we present a detailed and quantitative comparison between the usual free electron Kondo model and such spin chain versions of the Kondo problem. For the gapless J 1 –J 2 spin chain two cases are studied, with zero next nearest neighbor coupling, J 2 = 0, and with a critical second-neighbor coupling, J 2 = J 2 c . We first focus on the spin chain impurity model with a critical second-neighbor antiferromagnetic exchange where a bulk marginal coupling present in the spin chain model for J 2 < J 2 c vanishes . There, the usual Kondo physics is recovered in the spin chain model in the low energy regime (up to negligible corrections, dropping as powers of inverse length or energy). At J 2 c the spin chain model is not exactly solvable and we demonstrate the equivalence to the Kondo problem by comparing density matrix renormalization group calculations on the frustrated spin chain model with exact Bethe ansatz calculations of the electronic Kondo problem. We then analyze the nearest neighbor model ( J 2 = 0) where a new kind of Kondo effect occurs due to the presence of the bulk marginal coupling. This marginal coupling slightly alters the β function for the Kondo coupling, leading to a slower variation of the Kondo temperature, T K , with the bare Kondo coupling. In their exact Bethe ansatz solution of this spin chain impurity model ( J 2 = 0), Frahm and Zvyagin noted this relation as well as the connection to the Kondo problem. Here, by numerically solving the Bethe ansatz equations we provide further evidence for the connection to Kondo physics and in addition we present low temperature quantum Monte Carlo results for the impurity susceptibility that further support this connection.
Impurity models describe localized impurities interacting with the spins of electrons. Strong correlations lead to non-trivial behaviours of the model. In this work we present 3 different impurity models: (1) the single-impurity Kondo model; (2) the two-impurity Kondo model; (3) the two-channel Kondo model. For each model we present a spin chain emulation and utilize the density matrix renormalization group (DMRG). We study the magnetization and zero-temperature susceptibility of the impurity when a local magnetic field is applied. We get the expected relations theoretically.