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Physical Review B

Reply to “Comment on ‘Conductance scaling in Kondo-correlated quantum dots: Role of level asymmetry and charging energy’”

L. Merker, Stefan Kirchner, Enrique Muñoz, Theo A. Costi

Published Aug 13, 2014• 5 citations
Publisher

Abstract

The Comment of A. A. Aligia claims that the superperturbation theory (SPT) approach [E. Mu\~noz, C. J. Bolech, and S. Kirchner, Phys. Rev. Lett. 110, 016601 (2013)] formulated using dual fermions [A. N. Rubtsov, M. I. Katsnelson, and A. I. Lichtenstein, Phys. Rev. B 77, 033101 (2008)] and used by us to compare with numerical renormalization group (NRG) results for the conductance [L. Merker, S. Kirchner, E. Mu\~noz, and T. A. Costi, Phys. Rev. B 87, 165132 (2013)], fails to correctly extend the results of the symmetric Anderson impurity model (SIAM) for general values of the local level ${E}_{d}$ in the Kondo regime. We answer this criticism. We also compare new NRG results for ${c}_{B}$, with ${c}_{B}$ calculated directly from the low-field conductance, with new higher-order SPT calculations for this quantity, finding excellent agreement for all ${E}_{d}$ and for $U/\ensuremath{\pi}\ensuremath{\Delta}$ extending into the strong coupling regime.

DOI
10.1103/physrevb.90.077102

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The Comment of A. A. Aligia claims that the superperturbation theory (SPT) approach [E. Mu~noz, C. J. Bolech, and S. Kirchner, Phys. Rev. Lett. 110, 016601 (2013)] formulated using dual fermions [A. N. Rubtsov, M. I. Katsnelson, and A. I. Lichtenstein, Phys. Rev. B 77, 033101 (2008)] and used by us to compare with numerical renormalization group (NRG) results for the conductance [L. Merker, S. Kirchner, E. Mu~noz, and T. A. Costi, Phys. Rev. B 87, 165132 (2013)], fails to correctly extend the results of the symmetric Anderson impurity model (SIAM) for general values of the local level Ed{E}_{d}Ed​ in the Kondo regime. We answer this criticism. We also compare new NRG results for cB{c}_{B}cB​, with cB{c}_{B}cB​ calculated directly from the low-field conductance, with new higher-order SPT calculations for this quantity, finding excellent agreement for all Ed{E}_{d}Ed​ and for U/\ensuremathπ\ensuremathΔU/\ensuremath{\pi}\ensuremath{\Delta}U/\ensuremathπ\ensuremathΔ extending into the strong coupling regime.
In a recent work [Merker, Kirchner, Mu\~noz, and Costi, Phys. Rev. B 87, 165132 (2013)], the authors compared the results of numerical renormalization group (NRG) and a perturbative approach for the dependence on temperature TTT and magnetic field BBB of the conductance through a quantum dot described by the impurity Anderson model, for small TTT and BBB. We show that the equation used to extract the dependence on BBB from NRG results is incorrect out of the particle-hole symmetric case. As a consequence, in the Kondo regime, the correct NRG results have a weaker dependence on BBB and the disagreement between both approaches increases.
It is shown that the lesser and greater self energies and Green functions calculated in a recent work on universal noequilibrium transport in interacting quantum dots [E. Muñoz, C. J. Bolech, and S. Kirchner, Phys. Rev. Lett. 110, 016601 (2013)] are incorrect. The authors start from renormalized second-order perturbation theory in the Coulomb repulsion in the particle-hole symmetric impurity Anderson model. The reported lesser self-energy is compared with the correct one, and with an analytic result valid for small frequency and applied voltage. As a consequence of the mistakes, the conservation of the current is not established and the results are unreliable.
A recent comment on our work (Phys. Rev. Lett., vol. 110, 016601 (2013)) by A.A.Aligia claims that we "made mistakes in the evaluation of the lesser quantities". It is further claimed that the distribution function of the single-particle selfenergy of the interacting region in the Fermi liquid regime, e.g. at small bias voltage, low temperature, and small frequency, is continuous. These claims are based on a comparison of the particle-hole symmetric case with results obtained from the approach of A.A.Aligia. We disagree with these claims and show that the discrepancies that the comment alludes to originate from a violation of Ward identities by the method employed in the comment. A comparison of our approach with the numerical renormalization group shows perfect agreement for the symmetric case.
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.
In a recent work, Zhang and coworkers [Phys. Rev. B 82, 075111 (2010)] studied the Zeeman splitting of the Kondo resonance for the single impurity Anderson model in a finite magnetic field BBB with the numerical renormalization group (NRG) method. They report a discrepancy between the position of the Kondo resonance in the total spectral function and the position in the spin-resolved spectral function at large magnetic fields. Additionally, the position of the Kondo maximum exceeded the Zeeman energy for $B/{T}_{K}\ensuremath{\gtrsim}5\ensuremath{-}10$, where TK{T}_{K}TK​ is the low-energy Kondo scale of the model. In this comment, we argue that both these findings are a result of the specific choice of NRG parameter values. However, we reproduce the crossover in the splitting from Kondo-like behavior to a nonuniversal splitting larger than the Zeeman energy, but this crossover occurs at much larger fields of the order of the charge scale.
This paper is a corrected version of Phys. Rev. B 95, 165404 (2017), which we have retracted because it contained a trivial but fatal sign error that lead to incorrect conclusions. We extend a recently developed Fermi liquid (FL) theory for the asymmetric single-impurity Anderson model [C. Mora et al., Phys. Rev. B 92, 075120 (2015)] to the case of an arbitrary local magnetic field. To describe the system's low-lying quasiparticle excitations for arbitrary values of the bare Hamiltonian's model parameters, we construct an effective low-energy FL Hamiltonian whose FL parameters are expressed in terms of the local level's spin-dependent ground-state occupations and their derivatives with respect to level energy and local magnetic field. These quantities are calculable with excellent accuracy from the Bethe ansatz solution of the Anderson model. Applying this effective model to a quantum dot in a nonequilibrium setting, we obtain exact results for the curvature of the spectral function, cA{c}_{A}cA​, describing its leading $\ensuremath{\sim}{\ensuremath{\varepsilon}}^{2}$ term, and the transport coefficients cV{c}_{V}cV​ and cT{c}_{T}cT​, describing the leading $\ensuremath{\sim}{V}^{2}$ and $\ensuremath{\sim}{T}^{2}$ terms in the nonlinear differential conductance. A sign change in cA{c}_{A}cA​ or cV{c}_{V}cV​ is indicative of a change from a local maximum to a local minimum in the spectral function or nonlinear conductance, respectively, as is expected to occur when an increasing magnetic field causes the Kondo resonance to split into two subpeaks. We find that the fields BA{B}_{A}BA​, BT{B}_{T}BT​, and BV{B}_{V}BV​ at which cA{c}_{A}cA​, cT{c}_{T}cT​, and cV{c}_{V}cV​ change sign, respectively, are all of order TK{T}_{K}TK​, as expected, with BA=BT=BV=0.75073TK{B}_{A}={B}_{T}={B}_{V}=0.75073{T}_{K}BA​=BT​=BV​=0.75073TK​ in the Kondo limit.