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arXiv:1211.0363 · Physical Review B

Hund's rule coupling in models of magnetic impurities and quantum dots

Yunori Nishikawa, Alex C. Hewson

Published Dec 26, 2012• 10 citations
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Abstract

Studies of the effects of the Hund's rule coupling ${J}_{H}$ in multiple orbit impurities or quantum dots using different models have led to quite different predictions for the Kondo temperature ${T}_{K}$ as a function of ${J}_{H}$. We show that the differences depend on whether or not the models conserve orbital angular momentum about the impurity site. Using numerical renormalization-group calculations, we deduce the renormalized parameters for the Fermi liquid regime and show that, despite the differences between the models, the low-energy fixed point in the strong-correlation regime is universal, with a single energy scale ${T}_{K}$ and just two renormalized interaction parameters, a renormalized single orbital term, $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{U}=4{T}_{K}$, and a renormalized Hund's rule term, ${\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{J}}_{H}=8{T}_{K}/3$.

DOI
10.1103/physrevb.86.245131

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Studies of the effects of the Hund's rule coupling JH{J}_{H}JH​ in multiple orbit impurities or quantum dots using different models have led to quite different predictions for the Kondo temperature TK{T}_{K}TK​ as a function of JH{J}_{H}JH​. We show that the differences depend on whether or not the models conserve orbital angular momentum about the impurity site. Using numerical renormalization-group calculations, we deduce the renormalized parameters for the Fermi liquid regime and show that, despite the differences between the models, the low-energy fixed point in the strong-correlation regime is universal, with a single energy scale TK{T}_{K}TK​ and just two renormalized interaction parameters, a renormalized single orbital term, U\ifmmode~\else˜\fi=4TK\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{U}=4{T}_{K}U\ifmmode~\else˜\fi​=4TK​, and a renormalized Hund's rule term, J\ifmmode~\else˜\fiH=8TK/3{\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{J}}_{H}=8{T}_{K}/3J\ifmmode~\else˜\fi​H​=8TK​/3.
We study nonequilibrium current fluctuations through a quantum dot, which includes a ferromagnetic Hund's rule coupling J, in the low-energy Fermi liquid regime using the renormalized perturbation theory. The resulting cumulant for the current distribution in the particle-hole symmetric case shows that spin-triplet and spin-singlet pairs of quasiparticles are formed in the current due to the Hund's rule coupling, and these pairs enhance the current fluctuations. In the fully screened higher-spin Kondo limit, the Fano factor takes a value F(b)=(9M+6)/(5M+4) determined by the orbital degeneracy M. We also investigate the crossover between the small and large J limits in the two-orbital case M=2, using the numerical renormalization group approach.
Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale T_{FL} is found to be surprisingly small. In this Letter, we study the simplest impurity model relevant for Hund metals, the three-channel spin-orbital Kondo model, using the numerical renormalization group (NRG) method and compute its global phase diagram. In this framework, T_{FL} becomes arbitrarily small close to two new quantum critical points that we identify by tuning the spin or spin-orbital Kondo couplings into the ferromagnetic regimes. We find quantum phase transitions to a singular Fermi-liquid or a novel non-Fermi-liquid phase. The new non-Fermi-liquid phase shows frustrated behavior involving alternating overscreenings in spin and orbital sectors, with universal power laws in the spin (ω^{-1/5}), orbital (ω^{1/5}) and spin-orbital (ω^{1}) dynamical susceptibilities. These power laws, and the NRG eigenlevel spectra, can be fully understood using conformal field theory arguments, which also clarify the nature of the non-Fermi-liquid phase.
Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state.When studying Hund metals using dynamical mean-field theory, one arrives at a self-consistent "Hund impurity problem" involving a multiorbital quantum impurity with nonzero Hund coupling interacting with a metallic bath.If its spin and orbital degrees of freedom are screened at different energy scales, T sp < T orb , the intermediate energy window is governed by a novel NFL fixed point, whose nature had not yet been clarified.We resolve this problem by providing an analytical solution of a paradigmatic example of a Hund impurity problem, involving two spin and three orbital degrees of freedom.To this end, we combine a state-ofthe-art implementation of the numerical renormalization group, capable of exploiting non-Abelian symmetries, with a generalization of Affleck and Ludwig's conformal field theory (CFT) approach for multichannel Kondo models.We characterize the NFL fixed point of Hund metals in detail for a Kondo model with an impurity forming an SUð2Þ × SUð3Þ spin-orbital multiplet, tuned such that the NFL energy window is very wide.The impurity's spin and orbital susceptibilities then exhibit striking power-law behavior, which we explain using CFT arguments.We find excellent agreement between CFT predictions and numerical renormalization group results.Our main physical conclusion is that the regime of spinorbital separation, where orbital degrees of freedom have been screened but spin degrees of freedom have not, features anomalously strong local spin fluctuations: the impurity susceptibility increases as χ imp sp ∼ ω -γ , with γ > 1.
Using different techniques, and Fermi-liquid relationships, we calculate the variation with the applied magnetic field (up to second order) of the zero-temperature equilibrium conductance through a quantum dot described by the impurity Anderson model. We focus on the strong-coupling limit $U\ensuremath{\gg}\mathrm{\ensuremath{\Delta}}$, where UUU is the Coulomb repulsion and $\mathrm{\ensuremath{\Delta}}$ is half the resonant-level width, and consider several values of the dot level energy Ed{E}_{d}Ed​, ranging from the Kondo regime ${\ensuremath{\epsilon}}_{F}\ensuremath{-}{E}_{d}\ensuremath{\gg}\mathrm{\ensuremath{\Delta}}$ to the intermediate-valence regime ${\ensuremath{\epsilon}}_{F}\ensuremath{-}{E}_{d}\ensuremath{\sim}\mathrm{\ensuremath{\Delta}}$, where ${\ensuremath{\epsilon}}_{F}$ is the Fermi energy. We have mainly used the density-matrix renormalization group (DMRG) and the numerical renormalization group (NRG) combined with renormalized perturbation theory (RPT). Results for the dot occupancy and magnetic susceptibility from the DMRG and NRG+RPT\mathrm{NRG}+\mathrm{RPT}NRG+RPT are compared with the corresponding Bethe ansatz results for $U\ensuremath{\rightarrow}\ensuremath{\infty}$, showing an excellent agreement once Ed{E}_{d}Ed​ is renormalized by a constant Haldane shift. For $U<3\mathrm{\ensuremath{\Delta}}$ a simple perturbative approach in UUU agrees very well with the other methods. The conductance decreases with the applied magnetic field for dot occupancies ${n}_{d}\ensuremath{\sim}1$ and increases for ${n}_{d}\ensuremath{\sim}0.5$ or ${n}_{d}\ensuremath{\sim}1.5$ regardless of the value of UUU. We also relate the energy scale for the magnetic-field dependence of the conductance with the width of the low-energy peak in the spectral density of the dot.
We generalize Nozi\`eres' Fermi-liquid theory for the low-energy behavior of the Kondo model to that of the single-impurity Anderson model. In addition to the electrons' phase shift at the Fermi energy, the low-energy Fermi-liquid theory is characterized by four Fermi-liquid parameters: the two given by Nozi\`eres that enter to first order in the excitation energy, and two additional ones that enter to second order and are needed away from particle-hole symmetry. We express all four parameters in terms of zero-temperature physical observables, namely the local charge and spin susceptibilities and their derivatives with respect to the local level position. We determine these in terms of the bare parameters of the Anderson model using Bethe ansatz and numerical renormalization group (NRG) calculations. Our low-energy Fermi-liquid theory applies throughout the crossover from the strong-coupling Kondo regime via the mixed-valence regime to the empty-orbital regime. From the Fermi-liquid theory, we determine the conductance through a quantum dot symmetrically coupled to two leads in the regime of small magnetic field, low temperature, and small bias voltage, and compute the coefficients of the $\ensuremath{\sim}{B}^{2}, \ensuremath{\sim}{T}^{2}$, and $\ensuremath{\sim}{V}^{2}$ terms exactly in terms of the Fermi-liquid parameters. The coefficients of T2,V2{T}^{2}, {V}^{2}T2,V2, and B2{B}^{2}B2 are found to change sign during the Kondo to empty-orbital crossover. The crossover becomes universal in the limit that the local interaction is much larger than the level width. For completeness, we also compute the shot noise and discuss the resulting Fano factor.
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