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Annalen der Physik

Charge susceptibility in Kondo systems at half filling: DMRG study

Peter Schmitteckert, Ferdinand Evers

Published Feb 2, 2012• 3 citations
Publisher

Abstract

Abstract In this brief communication, the charge susceptibility, χc,imp, is calculated for the single impurity Anderson model in the Kondo regime with the density matrix renormalization group theory (DMRG). Excellent agreement with the Bethe‐Ansatz (BA) results is found in the appropriate limit where the (effective) level broadening Γ☆ and the charging energy, U, are much smaller than the conduction electron bandwidth, D. Deviations occur for large interactions U>D, where we find that χc,imp decays faster, approximately by a factor D/U, as compared to the BA‐prediction. Our work is of methodological relevance, e.g., for studies of the Kondo‐effect in molecular systems, in the sense that it prepares treatments of (spinful) few‐orbital models in the Kondo regime.

DOI
10.1002/andp.201100298

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•Jun 16, 2009•0 citations
Abstract In this brief communication, the charge susceptibility, χc,imp, is calculated for the single impurity Anderson model in the Kondo regime with the density matrix renormalization group theory (DMRG). Excellent agreement with the Bethe‐Ansatz (BA) results is found in the appropriate limit where the (effective) level broadening Γ☆ and the charging energy, U, are much smaller than the conduction electron bandwidth, D. Deviations occur for large interactions U>D, where we find that χc,imp decays faster, approximately by a factor D/U, as compared to the BA‐prediction. Our work is of methodological relevance, e.g., for studies of the Kondo‐effect in molecular systems, in the sense that it prepares treatments of (spinful) few‐orbital models in the Kondo regime.
In order to better understand Kondo insulators, we have studied both the symmetric and asymmetric Anderson lattices at half filling in one dimension using the density-matrix formulation of the numerical renormalization group. The asymmetric case is treated in the mixed-valence regime. We have calculated the charge gap, the spin gap, and the quasiparticle gap as a function of the repulsive interaction U using open boundary conditions for lattices as large as 24 sites. We find that the charge gap is larger than the spin gap for all U for both the symmetric and asymmetric cases. Ruderman-Kittel-Kasuya-Yosida interactions are evident in the f-spin--f-spin correlation functions at large U in the symmetric case, but are suppressed in the asymmetric case as the f level approaches the Fermi energy. This suppression can also be seen in the staggered susceptibility \ensuremath{\chi}(q=2kF{\mathit{k}}_{\mathit{F}}kF​) and it is consistent with neutron scattering measurements of \ensuremath{\chi}(q) in CeNiSn.
An Anderson impurity in a Hubbard model on chains with finite length is studied using the density-matrix renormalization-group (DMRG) technique. In the first place, we analyzed how the reduction of electron density from half filling to quarter filling affects the Kondo resonance in the limit of Hubbard repulsion U=0U=0U=0. In general, a weak dependence with the electron density was found for the local density of states (LDOS), at the impurity except when the impurity, at half filling, is close to a mixed-valence regime. Next, in the central part of this paper, we studied the effects of finite Hubbard interaction on the chain at quarter filling. Our main result is that this interaction drives the impurity into a more defined Kondo regime although accompanied in most cases by a reduction of the spectral weight of the impurity LDOS. Again, for the impurity in the mixed-valence regime, we observed an interesting nonmonotonic behavior. We also concluded that the conductance, computed for a small finite bias applied to the leads, follows the behavior of the impurity LDOS, as in the case of noninteracting chains. Finally, we analyzed how the Hubbard interaction and the finite chain length affect the spin compensation cloud both at zero and at finite temperature, in this case using quantum Monte Carlo techniques.
Thermodynamic properties of the one-dimensional Kondo lattice model at half-filling are studied by the density matrix renormalization group method applied to the quantum transfer matrix. Spin susceptibility, charge susceptibility, and specific heat are calculated down to T=0.1t for various exchange constants. The obtained results clearly show crossover behavior from the high temperature regime of nearly independent localized spins and conduction electrons to the low temperature regime where the two degrees of freedom couple strongly. The low temperature energy scales of the charge and spin susceptibilities are determined and shown to be equal to the quasiparticle gap and the spin gap, respectively, for weak exchange couplings.
Recent developments in the theoretical investigation of the one-dimensional Kondo lattice model by using the density matrix renormalization group (DMRG) method are discussed in this review. Short summaries are given of the zero-temperature DMRG method, the finite-temperature DMRG method, and also the application of the finite- T DMRG to dynamic quantities. Away from half-filling, the paramagnetic metallic state is shown to be a Tomonaga-Luttinger liquid with a large Fermi surface. The size of the large Fermi surface is determined by the sum of the densities of the conduction electrons and the localized spins. The correlation exponent of this metallic phase is smaller than 1/2. At half-filling the ground state is insulating. The excitation gaps are different, depending on the channels, the spin gap, the charge gap and the quasiparticle gap. The temperature dependence of the spin and charge susceptibilities and the specific heat are discussed. Particularly interesting is the temperature dependence of various excitation spectra, which indicates unusual properties for the Kondo insulators.
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.
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.