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arXiv:1501.01834 · Physical Review B

Natural orbitals renormalization group approach to the two-impurity Kondo critical point

Rong-Qiang He, Jianhui Dai, Zhong-Yi Lu

Published Apr 23, 2015• 25 citations
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Abstract

The problem of two magnetic impurities in a normal metal exposes the two opposite tendencies in the formation of a singlet ground state, driven respectively by the single-ion Kondo effect with conduction electrons to screen impurity spins or the Ruderman-Kittel-Kasuya-Yosida interaction between the two impurities to directly form impurity spin singlet. However, whether the competition between these two tendencies can lead to a quantum critical point has been debated over more than two decades. Here, we study this problem by applying the newly proposed natural orbitals renormalization group method to a lattice version of the two-impurity Kondo model with a direct exchange $K$ between the two impurity spins. The method allows for unbiased access to the ground state wave functions and low-lying excitations for sufficiently large system sizes. We demonstrate the existence of a quantum critical point, characterized by the power-law divergence of impurity staggered susceptibility with critical exponent $\ensuremath{\gamma}=0.60(1)$, on the antiferromagnetic side of $K$ when the interimpurity distance $R$ is even lattice spacing, while a crossover behavior is recovered when $R$ is odd lattice spacing. These results have ultimately resolved the long-standing discrepancy between the numerical renormalization group and quantum Monte Carlo studies, confirming a link of this two-impurity Kondo critical point to a hidden particle-hole symmetry predicted by the local Fermi liquid theory.

DOI
10.1103/physrevb.91.155140

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The problem of two magnetic impurities in a normal metal exposes the two opposite tendencies in the formation of a singlet ground state, driven respectively by the single-ion Kondo effect with conduction electrons to screen impurity spins or the Ruderman-Kittel-Kasuya-Yosida interaction between the two impurities to directly form impurity spin singlet. However, whether the competition between these two tendencies can lead to a quantum critical point has been debated over more than two decades. Here, we study this problem by applying the newly proposed natural orbitals renormalization group method to a lattice version of the two-impurity Kondo model with a direct exchange KKK between the two impurity spins. The method allows for unbiased access to the ground state wave functions and low-lying excitations for sufficiently large system sizes. We demonstrate the existence of a quantum critical point, characterized by the power-law divergence of impurity staggered susceptibility with critical exponent \ensuremathγ=0.60(1)\ensuremath{\gamma}=0.60(1)\ensuremathγ=0.60(1), on the antiferromagnetic side of KKK when the interimpurity distance RRR is even lattice spacing, while a crossover behavior is recovered when RRR is odd lattice spacing. These results have ultimately resolved the long-standing discrepancy between the numerical renormalization group and quantum Monte Carlo studies, confirming a link of this two-impurity Kondo critical point to a hidden particle-hole symmetry predicted by the local Fermi liquid theory.
The competition between the Kondo screening and indirect magnetic exchange in systems with two magnetic impurities coupled to a conventional sss-wave superconductor gives rise to a nontrivial ground-state phase diagram. Here, we utilize the density matrix renormalization group (DMRG) method and exploit the non-Abelian spin-SU(2) symmetry to study the phase diagram for two quantum spin-12\frac{1}{2}21​ impurities locally exchange coupled to large one-dimensional chains. The nonlocal interimpurity exchange is treated as an emergent Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling. We find qualitatively different phase diagrams for impurity spins coupled to sites with odd or even distances ddd on the chain and a partial Kondo-screened spin-doublet phase that extends over the whole range of local exchange couplings JJJ in the limit of weak superconducting pairing strength $\mathrm{\ensuremath{\Delta}}$. Our numerical DMRG studies are complemented by exact diagonalization of small (quantum-box) systems and by perturbative-in-JJJ computations of the ddd- and $\mathrm{\ensuremath{\Delta}}$-dependent RKKY interaction. It is thereby demonstrated that the specific system geometry is essential for our understanding of magnetic impurity interactions in superconducting hosts, and thus for insights into the control of quantum-state properties in nanoparticle systems and topological superconductivity.
We propose that real-space properties of the two-impurity Kondo model can be obtained from an effective spin model where two single-impurity Kondo spin chains are joined via an Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between the two impurity spins. We then use a density matrix renormalization group approach, valid in all ranges of parameters, to study its features using two complementary quantum-entanglement measures, the negativity and the von Neumann entropy. This nonperturbative approach enables us to uncover the precise dependence of the spatial extent ξ(K) of the Kondo screening cloud with the Kondo and RKKY couplings. Our results reveal an exponential suppression of the Kondo temperature T(K)~1/ξ(K) with the size of the effective impurity spin in the limit of large ferromagnetic RKKY coupling, a striking display of "Kondo resonance narrowing" in the two-impurity Kondo model. We also show how the antiferromagnetic RKKY interaction produces an effective decoupling of the impurities from the bulk already for intermediate strengths of this interaction, and, furthermore, exhibit how the non-Fermi liquid quantum critical point is signaled in the quantum entanglement between various parts of the system.
We propose a model of a strongly-interacting two-impurity Kondo system based on the Anti-de Sitter/Conformal Field Theory (AdS/CFT) correspondence, also known as holography. In a Landau Fermi Liquid, the single-impurity Kondo effect is the screening of an impurity spin at low temperature T . The two-impurity Kondo model then describes the competition between the Kondo interaction and the Heisenberg interaction between two impurity spins, also called the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. For spin-1/2 impurities, that competition leads to a quantum phase transition from a Kondo-screened phase to a phase in which the two impurity spins screen one another. Our holographic model is based on a (1 + 1)-dimensional CFT description of the two-impurity Kondo model, reliable for two impurities with negligible separation in space. We consider only impurity spins in a totally anti-symmetric representation of an SU(N ) spin symmetry. We employ a large-N limit, in which both Kondo and RKKY couplings are double-trace, and both Kondo and inter-impurity screening appear as condensation of single-trace operators at the impurities’ location. We perform the holographic renormalization of our model, which allows us to identify the Kondo and RKKY couplings as boundary conditions on fields in AdS. We numerically compute the phase diagram of our model in the plane of RKKY coupling versus T , finding evidence for a quantum phase transition from a trivial phase, with neither Kondo nor inter-impurity screening, to a non-trivial phase, with both Kondo and anti-ferromagnetic inter-impurity screening. More generally we show, just using SU(N ) representation theory, that ferromagnetic correlations must be absent at leading order in the large-N limit. Our holographic model may be useful for studying many open problems involving strongly-interacting quantum impurities, including for example the Kondo lattice, relevant for describing the heavy fermion compounds.
Abstract In a superconductor embedded with a quantum magnetic impurity, the Kondo effect is involved, leading to the competition between the Kondo singlet phase and the superconductivity phase. By means of the natural orbitals renormalization group (NORG) method, we revisit the problem of a quantum magnetic impurity coupled with a conventional s-wave superconductor. Here we present a detailed study focusing on the impurity spin polarization and susceptibility, the Kondo screening cloud, as well as the number and structures of the active natural orbitals (ANOs). In the superconducting phase, the impurity spin is partially polarized, indicating that the impurity remains partially screened by the quantum fluctuations. Furthermore, the impurity spin susceptibility becomes divergent, resulting from the presence of residual local moment formed at the impurity site. Correspondingly, a non-integral (incomplete) Kondo cloud is formed, although the ground state is a spin doublet in this phase. In comparison, the Kondo cloud is complete in the Kondo singlet phase as expected. We also quantify the critical point, where the quantum phase transition from a Kondo singlet phase to a superconducting phase occurs, which is consistent with that in previous works. On the other hand, it is illustrated that only one ANO emerges in both quantum phases. The structures of the ANO, projected into both the real space and momentum space, are distinct in the Kondo singlet phase from that in the superconducting phase. More specifically, in the Kondo singlet phase, the ANO keeps fully active with half-occupied, and the superconducting gap has negligible influence on its structure. On the contrary, in the superconducting phase, the ANO tends to be inactive and its structure changes significantly as the superconducting gap increases. Additionally, our investigation demonstrates that the NORG method is reliable and convenient to solve the quantum impurity problems in superconductors as well, which will promote further theoretical studies on the Kondo problems in such systems using numerical methods.
We present an extensive study of the two-impurity Kondo problem for spin-1 adatoms on a square lattice using an exact canonical transformation to map the problem onto an effective one-dimensional system that can be numerically solved using the density matrix renormalization group method. We provide a simple intuitive picture and identify the different regimes, depending on the distance between the two impurities, Kondo coupling JK{J}_{K}JK​, longitudinal anisotropy DDD, and transverse anisotropy EEE. In the isotropic case, two impurities on opposite (the same) sublattices have a singlet (triplet) ground state. However, the energy difference between the triplet ground state and the singlet excited state is very small and we expect an effectively fourfold-degenerate ground state, i.e., two decoupled impurities. For large enough JK{J}_{K}JK​ the impurities are practically uncorrelated forming two independent underscreened states with the conduction electrons, a clear nonperturbative effect. When the impurities are entangled in an RKKY-like state, Kondo correlations persist and the two effects coexist: the impurities are underscreened, and the dangling spin-1/21/21/2 degrees of freedom are responsible for the interimpurity entanglement. We analyze the effects of magnetic anisotropy in the development of quasiclassical correlations.
In order to quantify quantum entanglement in two-impurity Kondo systems, we calculate the concurrence, negativity, and von Neumann entropy. The entanglement of the two Kondo impurities is shown to be determined by two competing many-body effects, namely the Kondo effect and the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, III. Due to the spin-rotational invariance of the ground state, the concurrence and negativity are uniquely determined by the spin-spin correlation between the impurities. It is found that there exists a critical minimum value of the antiferromagnetic correlation between the impurity spins which is necessary for entanglement of the two impurity spins. The critical value is discussed in relation with the unstable fixed point in the two-impurity Kondo problem. Specifically, at the fixed point there is no entanglement between the impurity spins. Entanglement will only be created [and quantum information processing (QIP) will only be possible] if the RKKY interaction exchange energy, III, is at least several times larger than the Kondo temperature, TK{T}_{K}TK​. Quantitative criteria for QIP are given in terms of the impurity spin-spin correlation.