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arXiv:1608.03018 · Physical review. B./Physical review. B

Qualitative breakdown of the noncrossing approximation for the symmetric one-channel Anderson impurity model at all temperatures

Cintia N. Sposetti, L. O. Manuel, P. Roura-Bas

Published Aug 23, 2016• 14 citations
arXivHTMLPDF

Abstract

The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-$1/2$ particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-$U$ single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}ln\sqrt{2},$ which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures ${S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}0$. Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.

DOI
10.1103/physrevb.94.085139

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The Anderson impurity model is studied by means of the self-consistent hybridization expansions in its noncrossing (NCA) and one-crossing (OCA) approximations. We have found that for the one-channel spin-1/21/21/2 particle-hole symmetric Anderson model, the NCA results are qualitatively wrong for any temperature, even when the approximation gives the exact threshold exponents of the ionic states. Actually, the NCA solution describes an overscreened Kondo effect, because it is the same as for the two-channel infinite-UUU single-level Anderson model. We explicitly show that the NCA is unable to distinguish between these two very different physical systems, independently of temperature. Using the impurity entropy as an example, we show that the low-temperature values of the NCA entropy for the symmetric case yield the limit Simp(T=0)\ensuremath→ln2,{S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}ln\sqrt{2},Simp​(T=0)\ensuremath→ln2​, which corresponds to the zero temperature entropy of the overscreened Kondo model. Similar pathologies are predicted for any other thermodynamic property. On the other hand, we have found that the OCA approach lifts the artificial mapping between the models and restores correct properties of the ground state, for instance, a vanishing entropy at low enough temperatures Simp(T=0)\ensuremath→0{S}_{\mathrm{imp}}(T=0)\ensuremath{\rightarrow}0Simp​(T=0)\ensuremath→0. Our results indicate that the very well known NCA should be used with caution close to the symmetric point of the Anderson model.
The noncrossing approximation (NCA) is generalized to the multichannel Kondo-spin Hamiltonian with arbitrary anisotropic exchange couplings and an external magnetic field, and applied---in the framework of Matveev's mapping---to the charge fluctuations in a single-electron box at the Coulomb blockade. The temperature dependences of the charge step and the capacitance are calculated for a narrow point contact. At low temperatures and close to the degeneracy point, the capacitance line shape exhibits an approximate scaling with U/T,U/\sqrt{T},U/T​, where U is the deviation in gate voltage from the degeneracy point. This scaling relation is proposed as a sharp experimental diagnostic for the non-Fermi-liquid physics of the system at low temperatures. Both the reliability and shortcomings of the Kondo NCA are discussed in detail. Through comparison with poor-man's scaling, we are able to pinpoint the omission of particle-particle processes as the origin of the NCA flaws. An extended diagrammatic scheme is devised to amend the NCA flaws.
The multichannel Kondo model with SU(N)\mathrm{SU}(N)SU(N) spin symmetry and SU(K)\mathrm{SU}(K)SU(K) channel symmetry is considered. The impurity spin is chosen to transform as an antisymmetric representation of SU(N),\mathrm{SU}(N),SU(N), corresponding to a fixed number of Abrikosov fermions ${\ensuremath{\sum}}_{\ensuremath{\alpha}}{f}_{\ensuremath{\alpha}}^{\ifmmode\dagger\else\textdagger\fi{}}{f}_{\ensuremath{\alpha}}=Q.$ For more than one channel (K>1),(K>1),(K>1), and all values of NNN and Q,Q,Q, the model displays non-Fermi behavior associated with the overscreening of the impurity spin. Universal low-temperature thermodynamic and transport properties of this non-Fermi-liquid state are computed using conformal field theory methods. A large-NNN limit of the model is then considered, in which $K/N\ensuremath{\equiv}\ensuremath{\gamma}$ and $Q/N\ensuremath{\equiv}{q}_{0}$ are held fixed. Spectral densities satisfy coupled integral equations in this limit, corresponding to a (time-dependent) saddle point. A low-frequency, low-temperature analysis of these equations reveals universal scaling properties in the variable $\ensuremath{\omega}/T,$ in agreement with conformal invariance. The universal scaling form is obtained analytically and used to compute the low-temperature universal properties of the model in the large-NNN limit, such as the T=0T=0T=0 residual entropy and residual resistivity, and the critical exponents associated with the specific heat and susceptibility. The connections with the ``noncrossing approximation'' and the previous work of Cox and Ruckenstein are discussed.
We assess the reliability of the one-crossing approximation (OCA) approach in a quantitative description of the Mott transition in the framework of the dynamical mean field theory (DMFT). The OCA approach has been applied in conjunction with DMFT to a number of heavy-fermion, actinide, transition metal compounds and nanoscale systems. However, several recent studies in the framework of impurity models pointed out serious deficiencies of OCA and raised questions regarding its reliability. Here we consider a single band Hubbard model on the Bethe lattice at finite temperatures and compare the results of OCA to those of a numerically exact quantum Monte Carlo (QMC) method. The temperature-local repulsion U phase diagram for the particle-hole symmetric case obtained by OCA is in good agreement with that of QMC, with the metal-insulator transition captured very well. We find, however, that the insulator to metal transition is shifted to higher values of U and, simultaneously, correlations in the metallic phase are significantly overestimated. This counter-intuitive behaviour is due to simultaneous underestimations of the Kondo scale in the metallic phase and the size of the insulating gap. We trace the underestimation of the insulating gap to that of the second moment of the high-frequency expansion of the impurity spectral density. Calculations of the system away from the particle-hole symmetric case are also presented and discussed.
We study a dissipative version of the Anderson Impurity model, where an interacting impurity is coupled to a fermionic reservoir and exposed to Markovian dissipation in the form of two-body losses. Using a self-consistent hybridization expansion based on the Non-Crossing Approximation (NCA) we compute the dynamics of the impurity, its steady-state and spectral function. We show that the interplay between strong Coulomb repulsion and correlated dissipation gives rise to robust signatures of Kondo physics both at weak and strong losses. These include a strongly suppressed spin relaxation rate, displaying a characteristic Kondo-Zeno crossover and a spectral function where doublon band is quickly destroyed by dissipation while the coherent Kondo peak remains visible for weak losses, then disappears at intermediate values and finally re-emerge as the system enters in the Kondo-Zeno regime. As compared to the case of single particle losses we show that two-body dissipation protects Kondo physics. The picture obtained with NCA is confirmed by numerical simulations of exact dynamics on finite-size chains. We interpret these results using a dissipative Schrieffer-Wolff transformation, which leads to an effective Kondo model with residual impurity-bath losses which are suppressed by strong correlations or strong losses.
We study the single impurity Anderson model (SIAM) using the equations of motion method (EOM), the non-crossing approximation (NCA), the one-crossing approximation (OCA), and Wilson's numerical renormalization group (NRG). We calculate the density of states and the linear conductance focusing on their dependence on the chemical potential and on the temperature paying special attention to the Kondo and Coulomb blockade regimes for a large range of model parameters. We report that some standard approximations based on the EOM technique display a rather unexpected poor behavior in the Coulomb blockade regime even at high temperatures. Our study offers a critical comparison between the different methods as well as a detailed compilation of the shortcomings and limitations due the approximations involved in each technique, thus allowing for a cost-benefit analysis of the different solvers that considers both numerical precision and computational performance.
In the present work, we calculate the conductance through a single quantum dot weakly coupled to metallic contacts. We use the spin-1/2 Anderson model to describe the quantum dot, while considering a finite Coulomb repulsion. We solve the interacting system using the noncrossing approximation (NCA) and the one-crossing approximation (OCA). We obtain the linear response conductance as a function of temperature and energy position of the localized level. From the comparison of both approximations we extract the role of the vertex corrections, which are introduced in the OCA calculations and neglected in the NCA scheme. As a function of the energy position, we observe that the diagrams omitted within the NCA are really important for appropriately describing transport phenomena in Kondo systems as well as in the mixed valence regime. On the other hand, as a function of temperature, the corrections introduced by the OCA partly recover the universal scaling properties known from numerical approaches such as the numerical renormalization group.