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Impurity Quantum Monte Carlo Calculations of Persistent Currents

Peter B. Hitchcock

Published Jan 1, 2006• 0 citations

Abstract

Recent interest in the fundamental physics of the Kondo effect has been driven by the observation of Kondo physics in mesoscopic systems such as quantum dots [1, 2] and carbon nanotubes [3], which can act analogously to magnetic impurities in a bulk metal. Highly tunable mesoscopic systems such as these present the possibility of observing the controversial Kondo length scale εK associated with the cloud of conduction electrons that screen the spin of the impurity [4]. This plays a similar role in scaling theories as the Kondo temperature Tk. One proposal [5] for detecting this length scale is to measure the finite-size dependence of persistent currents in an isolated conducting ring coupled to a quantum dot. The screening cloud should be 'trapped' in the closed system, and will not form if the size of the ring L is much smaller than εK. In particular, the current in the Kondo regime should be a universal scaling function j = L^-1 f(Φ, L/εK, T/Tk) (here Φ is the applied flux) [6, 7]. Considerable disagreement has arisen in the theoretical estimates of these persistent currents as different analytical treatments yield contradictory predictions [6, 8, 9, 10]. This thesis presents a new Quantum Monte Carlo (QMC) technique for measuring persistent currents in such systems, based on the Hirsch-Fye Impurity QMC algorithm [11] which is ideally suited to treating systems with a single impurity such as the quantum dot. The algorithm provides exact numerical results at finite temperatures. The complexity of the algorithm does not scale directly with the size of the system, making it particularly attractive for investigating a wide range of system sizes.

DOI: 10.71548/5374

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Recent interest in the fundamental physics of the Kondo effect has been driven by the observation of Kondo physics in mesoscopic systems such as quantum dots [1, 2] and carbon nanotubes [3], which can act analogously to magnetic impurities in a bulk metal. Highly tunable mesoscopic systems such as these present the possibility of observing the controversial Kondo length scale εK associated with the cloud of conduction electrons that screen the spin of the impurity [4]. This plays a similar role in scaling theories as the Kondo temperature Tk. One proposal [5] for detecting this length scale is to measure the finite-size dependence of persistent currents in an isolated conducting ring coupled to a quantum dot. The screening cloud should be 'trapped' in the closed system, and will not form if the size of the ring L is much smaller than εK. In particular, the current in the Kondo regime should be a universal scaling function j = L^-1 f(Φ, L/εK, T/Tk) (here Φ is the applied flux) [6, 7]. Considerable disagreement has arisen in the theoretical estimates of these persistent currents as different analytical treatments yield contradictory predictions [6, 8, 9, 10]. This thesis presents a new Quantum Monte Carlo (QMC) technique for measuring persistent currents in such systems, based on the Hirsch-Fye Impurity QMC algorithm [11] which is ideally suited to treating systems with a single impurity such as the quantum dot. The algorithm provides exact numerical results at finite temperatures. The complexity of the algorithm does not scale directly with the size of the system, making it particularly attractive for investigating a wide range of system sizes.

We propose that the finite size of the Kondo screening cloud, ${\ensuremath{\xi}}_{K}$, can be probed by measuring the charge quantization in a one-dimensional system coupled to a small quantum dot. When the chemical potential $\ensuremath{\mu}$ in the system is varied at zero temperature, one should observe charge steps whose locations are at values of $\ensuremath{\mu}$ that are controlled by the Kondo effect when the system size

L

is comparable to ${\ensuremath{\xi}}_{K}$. We show that, if the standard Kondo model is used, the ratio between the widths of the Coulomb blockade valleys with odd or even number of electrons is a universal scaling function of ${\ensuremath{\xi}}_{K}∕L$. If we take into account electron-electron interactions in a single-channel wire, this ratio also depends on the parameters of the effective Luttinger model; in addition, the scaling is weakly violated by a marginal bulk interaction. For the geometry of a quantum dot embedded in a ring, we show that the dependence of the charge steps on a magnetic flux through the ring is controlled by the size of the Kondo screening cloud.

Measurements of the persistent current in a ring containing a quantum dot would afford a unique opportunity to finally detect the elusive Kondo screening cloud. We present the first large-scale numerical results on this controversial subject using exact diagonalization and density matrix renormalization group (RG). These extremely challenging numerical calculations confirm RG arguments for weak to strong coupling crossover with varying ring length and give results on the universal scaling functions. We also study, analytically and numerically, the important and surprising effects of particle-hole symmetry breaking.

Abstract The screening of an impurity spin in the Kondo model occurs over a characteristic length scale ξ K , that defines the size of the Kondo screening cloud or ‘mist’. The presence of such a length scale in experimental and numerical results is rather subtle. A consistent way to show the presence of the screening cloud is to demonstrate scaling in the spatial correlations in terms of the single variable, r / ξ K instead of the correlations depending on r and ξ K separately. Here we study the paradigmatic one channel Kondo model using a spin chain representation, with an impurity spin at one end of the chain coupled with a strength J K ′ . Using Fermi liquid theory combined with numerical results, we obtain new high precision estimates of the non-universal terms in the entanglement entropy which leads to a verification of the expected non-integer ground-state degeneracy, g. This then allows us to study the impurity contribution to the entanglement in detail. If the impurity coupling J K ′ is varied, a precise determination of ξ K can then be obtained. The length scale, ξ K , is then shown to characterize the scaling of both the uniform and alternating part of a measure of the magnetization of part of an odd length chain.

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.

The screening of an impurity spin by conduction electrons is associated with the formation of a large Kondo screening cloud, of size ξ K . We study the quantum entanglement between a region of size r surrounding the impurity and the rest of the sample (of total size R ) using density matrix renormalization group and analytic methods. The corresponding ‘impurity entanglement entropy’, S imp , is shown to be a universal scaling function of r /ξ K and r / R . We calculate this universal function using Fermi liquid theory in the regime ξ K ≪ r .

We consider an ``impurity'' with a spin degree of freedom coupled to a finite reservoir of noninteracting electrons, a system which may be realized by either a true impurity in a metallic nanoparticle or a small quantum dot coupled to a large one. We show how the physics of such a spin impurity is revealed in the many-body spectrum of the entire finite-size system; in particular, the evolution of the spectrum with the strength of the impurity-reservoir coupling reflects the fundamental many-body correlations present. Explicit calculation in the strong- and the weak-coupling limits shows that the spectrum and its evolution are sensitive to the nature of the impurity and the parity of electrons in the reservoir. The effect of the finite-size spectrum on two experimental observables is considered. First, we propose an experimental setup in which the spectrum may be conveniently measured using tunneling spectroscopy. A rate equation calculation of the differential conductance suggests how the many-body spectral features may be observed. Second, the finite-temperature magnetic susceptibility is presented, both the impurity and the local susceptibilities. Extensive quantum Monte Carlo calculations show that the local susceptibility deviates from its bulk scaling form. Nevertheless, for special assumptions about the reservoir---the ``clean Kondo box'' model---we demonstrate that finite-size scaling is recovered. Explicit numerical evaluations of these scaling functions are given, both for even and odd parities and for the canonical and the grand-canonical ensembles.