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arXiv:1703.02383 · Physical review. B./Physical review. B

Unveiling the internal entanglement structure of the Kondo singlet

Chun Yang, Adrian E. Feiguin

Published Mar 6, 2017• 31 citations
arXivHTMLPDF

Abstract

We disentangle all the individual degrees of freedom in the quantum impurity problem to deconstruct the Kondo singlet, both in real and energy space, by studying the contribution of each individual free electron eigenstate. This is a problem of two spins coupled to a bath, where the bath is formed by the remaining conduction electrons. Being a mixed state, we resort to the ``concurrence'' to quantify entanglement. We identify ``projected natural orbitals'' that allow us to individualize a single-particle electronic wave function that is responsible of more than $90%$ of the impurity screening. In the weak coupling regime, the impurity is entangled to an electron at the Fermi level, while in the strong coupling regime, the impurity counterintuitively entangles mostly with the high energy electrons and disentangles completely from the low-energy states carving a ``hole'' around the Fermi level. This enables one to use concurrence as a pseudo order parameter to compute the characteristic ``size'' of the Kondo cloud, beyond which electrons are weakly correlated to the impurity and are dominated by the physics of the boundary.

DOI
10.1103/physrevb.95.115106

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We disentangle all the individual degrees of freedom in the quantum impurity problem to deconstruct the Kondo singlet, both in real and energy space, by studying the contribution of each individual free electron eigenstate. This is a problem of two spins coupled to a bath, where the bath is formed by the remaining conduction electrons. Being a mixed state, we resort to the concurrence'' to quantify entanglement. We identify projected natural orbitals'' that allow us to individualize a single-particle electronic wave function that is responsible of more than 9090%90 of the impurity screening. In the weak coupling regime, the impurity is entangled to an electron at the Fermi level, while in the strong coupling regime, the impurity counterintuitively entangles mostly with the high energy electrons and disentangles completely from the low-energy states carving a hole'' around the Fermi level. This enables one to use concurrence as a pseudo order parameter to compute the characteristic size'' of the Kondo cloud, beyond which electrons are weakly correlated to the impurity and are dominated by the physics of the boundary.
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.
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.
Entanglement is a defining feature of quantum mechanics, and its relation to quantum criticality is of considerable current interest. Here we show that measurable spin and charge fluctuations provide an entanglement witness of quantum criticality in the two-impurity Kondo model, which has experimental realizations in terms of coupled quantum dots and magnetic impurities added to surfaces. We use density-matrix renormalization group and numerical renormalization group calculations to resolve the non-Fermi-liquid critical point separating two independently Kondo-screened impurities from an inter-impurity singlet and interpret it as a change in the dominant entanglement partner of each local moment: from entanglement of the local moment with an extended set of conduction-electron degrees of freedom to entanglement with the other impurity. This reorganization is accompanied by a singular response of the impurity-bath entanglement and the inter-impurity susceptibility. We show how the same structure is encoded in the quantum Fisher information of collective spin and charge operators at zero and finite temperatures, connecting the entanglement picture to experimentally accessible dynamical response functions. Our results establish impurity systems as controlled settings in which quantum-critical entanglement can be detected through measurable correlations, and provide further insight into the possibility of understanding heavy-fermion physics in terms of entanglement.
A magnetic impurity embedded in a metal is collectively screened by Fermi-surface quasiparticles into a many-body spin-singlet ground state, forming a Kondo cloud of size ξK∼ℏvF/(kBTK)ξ_{\rm K}\sim\hbar v_F/(k_B T_{\rm K})ξK​∼ℏvF​/(kB​TK​). This kinematic picture collapses in flat bands, where vF=0v_F=0vF​=0 and the hierarchy of dispersive energy shells is absent. Here we show that the missing organizing principle is quantum geometry. A magnetic impurity coupled to an isolated flat band selects a single active bath mode: a coherent superposition of flat-band Bloch states weighted by the hybridization factor v(k)v(\mathbf{k})v(k), while all orthogonal flat-band modes remain dark. The resulting flat-band Kondo problem is a quantum geometric molecule, with an algebraic Kondo scale set by the total projected hybridization strength rather than a logarithmic-renormalization scale. In real space, the impurity-bath spin correlation defines a quantum geometric Kondo cloud. Its cloud-size tensor admits a gauge-invariant decomposition into a hybridization-weighted quantum metric, a dressed Berry-connection covariance, and a positive hybridization-gradient term, yielding the lower bound ξK2≥∑kρ(k)Tr g(k)ξ_{\rm K}^2\geq \sum_{\mathbf{k}}ρ(\mathbf{k}){\rm Tr}\,g(\mathbf{k})ξK2​≥∑k​ρ(k)Trg(k), where ρ(k)=∣v(k)∣2/∑k∣v(k)∣2ρ(\mathbf{k})=|v(\mathbf{k})|^2/\sum_{\mathbf{k}}|v(\mathbf{k})|^2ρ(k)=∣v(k)∣2/∑k​∣v(k)∣2. Our result reveals that, in flat bands, Kondo screening is governed by the quantum geometry and interference structure of the impurity-selected Bloch wave packet, rather than Fermi-surface kinematics.
Entanglement entropy (EE) is commonly studied using real-space bipartitions. We show that, in quantum impurity models, an energy-space bipartition, equivalent to the momentum-space bipartition of the bath, can display universal behavior. Motivated by poor man's scaling, we logarithmically discretize the bath and partition it into high- and low-energy sectors. For models with Fermi-liquid fixed points, including the Anderson model and fully screened or underscreened Kondo models, the low-energy EE flows to constants independent of model parameters. These constants are integer multiples of ln⁡2\ln 2ln2 plus corrections that depend only on the logarithmic discretization parameter ΛΛΛ. We show that scale invariance of the fixed-point wavefunction in energy space maps to effective translation invariance along a one-dimensional chain, allowing the fixed points to be classified by one-dimensional topological band theory. With low-energy chiral symmetry, each ln⁡2\ln 2ln2 contribution originates from a topological edge mode. We also study transitions between distinct Fermi-liquid fixed points using the local-singlet--Kondo-singlet transition in a two-orbital Anderson model driven by an inter-orbital antiferromagnetic coupling. The local-singlet phase has an effectively decoupled impurity and nearly vanishing EE, whereas the Kondo-singlet phase has finite EE larger than ln⁡2\ln 2ln2 per spin and orbital. When chiral symmetry holds at low energies, this distinction corresponds to a topological transition of the effective bath chain. At the non-Fermi-liquid critical point, the EE develops an unstable plateau. Its ΛΛΛ dependence resembles that of the overscreened two-channel Kondo model, supporting universality within the same non-Fermi-liquid universality class.
The Kondo effect is a hallmark of strongly-correlated systems, where an impurity's local degrees of freedom are screened by conduction electrons, forming a many-body singlet. With increasing degrees of freedom in the impurity, theoretical studies face significant challenges in accurately identifying and characterizing the underlying mechanisms that screen the impurity. In this work, we introduce a straightforward yet powerful methodology for identifying the formation of Kondo singlets and their screening mechanisms, by utilizing the numerical renormalization group (NRG) combined with the matrix product states (MPS) technique. We demonstrate the effectiveness of our method on the single and two-level Anderson impurity models (AIM). Furthermore, we discuss potential generalizations of the method to multichannel and multiorbital Kondo impurities. Harnessing advanced tensor network techniques, our approach extends to complex impurity systems, offering a robust and versatile framework for studying Kondo physics.