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arXiv:1005.2852 · Journal of Physics Condensed Matter

Numerical renormalization group study of probability distributions for local fluctuations in the Anderson–Holstein and Holstein–Hubbard models

Alex C. Hewson, Johannes Bauer

Published Feb 23, 2010• 7 citations
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Abstract

We show that information on the probability density of local fluctuations can be obtained from a numerical renormalization group calculation of a reduced density matrix. We apply this approach to the Anderson-Holstein impurity model to calculate the ground state probability density ρ(x) for the displacement x of the local oscillator. From this density we can deduce an effective local potential for the oscillator and compare its form with that obtained from a semiclassical approximation as a function of the coupling strength. The method is extended to the infinite dimensional Holstein-Hubbard model using dynamical mean field theory. We use this approach to compare the probability densities for the displacement of the local oscillator in the normal, antiferromagnetic and charge ordered phases.

DOI
10.1088/0953-8984/22/11/115602

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We show that information on the probability density of local fluctuations can be obtained from a numerical renormalization group calculation of a reduced density matrix. We apply this approach to the Anderson-Holstein impurity model to calculate the ground state probability density ρ(x) for the displacement x of the local oscillator. From this density we can deduce an effective local potential for the oscillator and compare its form with that obtained from a semiclassical approximation as a function of the coupling strength. The method is extended to the infinite dimensional Holstein-Hubbard model using dynamical mean field theory. We use this approach to compare the probability densities for the displacement of the local oscillator in the normal, antiferromagnetic and charge ordered phases.
The density matrix renormalization group method is introduced in energy space to study Anderson impurity models. The method allows for calculations in the thermodynamic limit and is advantageous for studying not only the dynamical properties, but also the quantum entanglement of the ground state at the vicinity of an impurity quantum phase transition. This method is applied to obtain numerically exactly the ground-state phase diagram of the single-impurity Anderson model on the honeycomb lattice at half-filling. The calculation of local static quantities shows that the phase diagram contains two distinct phases, the local moment (LM) phase and the asymmetric strong coupling (ASC) phase, but no Kondo screening phase. These results are supported by the local spin and charge excitation spectra, which exhibit qualitatively different behavior in these two phases and also reveal the existence of the valence fluctuating point at the phase boundary. For comparison, we also study the low-energy effective pseudogap Anderson model using the method introduced here. Although the high-energy excitations are obviously different, we find that the ground-state phase diagram and the asymptotically low-energy excitations are in good quantitative agreement with those for the single-impurity Anderson model on the honeycomb lattice, thus providing a quantitative justification for the previous studies based on low-energy approximate approaches. Furthermore, we find that the lowest entanglement level is doubly degenerate for the LM phase, whereas it is singlet for the ASC phase and is accidentally threefold degenerate at the valence fluctuating point. This should be contrasted with the degeneracy of the energy spectrum because the ground state is found to be always singlet. Our results therefore clearly demonstrate that the low-lying entanglement spectrum can be used to determine with high accuracy the phase boundary of the impurity quantum phase transition.
We present a new method for calculating directly the one-particle self-energy of an impurity Anderson model with Wilson's numerical renormalization group method by writing this quantity as the ratio of two correlation functions. This way of calculating turns out to be considerably more reliable and accurate than that via the impurity Green's function alone. We give results for the self-energy for the case of a constant coupling between the impurity and the conduction band and the effective arising in the dynamical mean-field theory of the Hubbard model. The implications of the problem of the metal-insulator transition in the Hubbard model are also discussed.
The density of states, the dynamic (optical) conductivity, and the phase diagram of the paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are accounted by the DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular “bare” density of states (DOS). The DMFT effective single-impurity problem is solved by numerical renormalization group (NRG). The “correlated metal,” Mott insulator, and correlated Anderson insulator phases are identified from the evolution of the density of states, optical conductivity, and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of finite size, allowing us to construct the complete zero-temperature phase diagram of the paramagnetic Anderson-Hubbard model. The localization length in our approximation is practically independent of the strength of Hubbard correlations. But the divergence of the localization length in a finite-size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.
We present a study of the attractive Hubbard model based on the dynamical mean-field theory (DMFT) combined with the numerical renormalization group (NRG). For this study, the NRG method is extended to deal with self-consistent solutions of effective impurity models with superconducting symmetry breaking. We give details of this extension and validate our calculations with DMFT results with antiferromagnetic ordering. We also present results for static and integrated quantities for different filling factors in the crossover from weak to strong-coupling superfluidity. We study the evolution of the single-particle spectra throughout the crossover regime. Although the DMFT does not include the interaction of the fermions with the Goldstone mode, we find strong deviations from the mean-field theory in the intermediate and strong-coupling regimes. In particular, we show that low-energy charge fluctuations induce a transfer of spectral weight from the Bogoliubov quasiparticles to a higher-energy incoherent hump.
The two-dimensional many-body Holstein-Hubbard model in the T=0T=0T=0 normal state is examined within the framework of the self-consistent coupling of charge fluctuation correlations to the vibrational ones. The parameters of our model are the adiabaticity, the electron concentration, as well as the electron-phonon and the Coulomb interaction strengths. A fluctuation-based effective cumulant approach is introduced to examine the T=0T=0T=0 normal-state fluctuations and an analytic approximation to the true dynamical entangled ground state is suggested. Our results for the effective charge-transfer amplitude, the ground state energy, the fluctuations in the phonon population, the phonon softening as well as the coupling constant renormalizations suggest that, the recent numerical calculations of de Mello and Ranninger (Ref. 5), Berger, Val\'a\ifmmode \check{s}\else \v{s}\fi{}ek, and von der Linden (Ref. 2), and Marsiglio (Refs. 4 and 8) on systems with finite degrees of freedom can be qualitatively extended to the systems with large degrees of freedom.
We study the normal (nonsuperconducting) phase of the attractive Hubbard model within the dynamical mean field theory (DMFT) using the numerical renormalization group (NRG) as an impurity solver. A wide range of attractive potentials U is considered, from the weak-coupling limit, where superconducting instability is well described by the BCS approximation, to the strong-coupling region, where the superconducting transition is described by Bose condensation of compact Cooper pairs, which are formed at temperatures much exceeding the superconducting transition temperature. We calculate the density of states, the spectral density, and the optical conductivity in the normal phase for this wide range of U, including the disorder effects. We also present the results on superconducting instability of the normal state dependence on the attraction strength U and the degree of disorder. The disorder influence on the critical temperature T c is rather weak, suggesting in fact the validity of Anderson’s theorem, with the account of the general widening of the conduction band due to disorder.