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arXiv:cond-mat/0511109 · Journal of Physics Condensed Matter

Spectral density of the two-impurity Anderson model

Satoshi Nishimoto, Thomas Pruschke, R. M. Noack

Published Jan 6, 2006• 20 citations
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Abstract

We investigate static and dynamical ground-state properties of the two-impurity Anderson model at half filling in the limit of vanishing impurity separation using the dynamical density-matrix renormalization group method. In the weak-coupling regime, we find a quantum phase transition as a function of inter-impurity hopping driven by the charge degrees of freedom. For large values of the local Coulomb repulsion, the transition is driven instead by a competition between local and non-local magnetic correlations. We find evidence that, in contrast to the usual phenomenological picture, it seems to be the bare effective exchange interactions which trigger the observed transition.

DOI
10.1088/0953-8984/18/3/015

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We investigate static and dynamical ground-state properties of the two-impurity Anderson model at half filling in the limit of vanishing impurity separation using the dynamical density-matrix renormalization group method. In the weak-coupling regime, we find a quantum phase transition as a function of inter-impurity hopping driven by the charge degrees of freedom. For large values of the local Coulomb repulsion, the transition is driven instead by a competition between local and non-local magnetic correlations. We find evidence that, in contrast to the usual phenomenological picture, it seems to be the bare effective exchange interactions which trigger the observed transition.
We study the competition between Kondo physics and dissipation within an Anderson model of a magnetic impurity level that hybridizes with a metallic host and is also coupled, via the impurity charge, to the displacement of a bosonic bath having a spectral density proportional to ${\ensuremath{\omega}}^{s}$. As the impurity-bath coupling increases from zero, the effective Coulomb interaction between two electrons in the impurity level is progressively renormalized from its repulsive bare value until it eventually becomes attractive. For weak hybridization, this renormalization in turn produces a crossover from a conventional spin-sector Kondo effect to a charge Kondo effect. At particle-hole symmetry, and for sub-Ohmic bath exponents 0<s<10<s<10<s<1, further increase in the impurity-bath coupling results in a continuous zero-temperature transition to a broken-symmetry phase in which the ground-state impurity occupancy ${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{n}}_{d}$ acquires an expectation value ${⟨{\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{n}}_{d}⟩}_{0}\ensuremath{\ne}1$. The response of the impurity occupancy to a locally applied electric potential features the hyperscaling of critical exponents and $\ensuremath{\omega}∕T$ scaling that are expected at an interacting critical point. The numerical values of the critical exponents suggest that the transition lies in the same universality class as that of the sub-Ohmic spin-boson model. For the Ohmic case s=1s=1s=1, the transition is instead of Kosterlitz-Thouless type. Away from particle-hole symmetry, the quantum phase transition is replaced by a smooth crossover but signatures of the symmetric quantum critical point remain in the physical properties at elevated temperatures and/or frequencies.
We use the numerical renormalization group method to investigate the spectral properties of a single-impurity Anderson model with a gap $\ensuremath{\delta}$ across the Fermi level in the conduction-electron spectrum. For any finite $\ensuremath{\delta}>0$, at half filling the ground state of the system is always a doublet. Away from half filling a quantum phase transition (QPT) occurs as function of the gap value $\ensuremath{\delta}$, and the system evolves from the strong-coupling (SC) Kondo-type state, corresponding to $\ensuremath{\delta}<{\ensuremath{\delta}}_{C}$ toward a localized moment (LM) regime for $\ensuremath{\delta}>{\ensuremath{\delta}}_{C}$. The opening of the gap leads to the formation of one (two) bound states when the system is in the SC (LM) regime. The evolution across the QPT of their positions and the corresponding weights together with the dynamic properties of the model are investigated.
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 study a pseudogap Anderson-Holstein model of a magnetic impurity level that hybridizes with a conduction band whose density of states vanishes in power-law fashion at the Fermi energy, and couples, via its charge, to a nondispersive bosonic mode (e.g., an optical phonon). The model, which we treat using poor-man's scaling and the numerical renormalization group, exhibits quantum phase transitions of different types depending on the strength of the impurity-boson coupling. For weak impurity-boson coupling, the suppression of the density of states near the Fermi energy leads to quantum phase transitions between strong-coupling (Kondo) and local-moment phases. For sufficiently strong impurity-boson coupling, however, the bare repulsion between a pair of electrons in the impurity level becomes an effective attraction, leading to quantum phase transitions between strong-coupling (charge Kondo) and local-charge phases. Even though the Hamiltonian exhibits different symmetries in the spin and charge sectors, the thermodynamic properties near the two types of quantum phase transition are closely related under spin-charge interchange. Moreover, the critical responses to a local magnetic field (for small impurity-boson coupling) and to an electric potential (for large impurity-boson coupling) are characterized by the same exponents, whose values place these quantum-critical points in the universality class of the pseudogap Anderson model. One specific case of the pseudogap Anderson-Holstein model may be realized in a double-quantum-dot device, where the quantum phase transitions manifest themselves in the finite-temperature linear electrical conductance.
We study the ground-state phase diagram of the Anderson-Hubbard model with correlated hopping at half-filling in one dimension. The Hamiltonian has a local Coulomb repulsion UUU and a disorder potential with local energies randomly distributed in the interval $(\ensuremath{-}W,+W)$ with equal probability, acting on the singly occupied sites. The hopping process which modifies the number of doubly occupied sites is forbidden. The hopping between nearest-neighbor singly occupied and empty sites or between singly occupied and doubly occupied sites has the same amplitude ttt. We identify three different phases as functions of the disorder amplitude WWW and Coulomb interaction strength U>0U>0U>0. When U<4tU<4tU<4t the system shows a metallic phase: (i) only when no disorder is present W=0W=0W=0 or an Anderson-localized phase, (ii) when disorder is introduced $W\ensuremath{\ne}0$. When U>4tU>4tU>4t the Anderson-localized phase survives as long as disorder effects dominate on the interaction effects, otherwise a Mott-insulator phase (iii) arises. Phases (i) and (ii) are characterized by a finite density of doublons and a vanishing charge gap among the ground state and the excited states. Phase (iii) is characterized by the vanishing density of doublons and a finite gap for the charge excitations.
An Anderson impurity in a Hubbard model on chains with finite length is studied using the density-matrix renormalization-group (DMRG) technique. In the first place, we analyzed how the reduction of electron density from half filling to quarter filling affects the Kondo resonance in the limit of Hubbard repulsion U=0U=0U=0. In general, a weak dependence with the electron density was found for the local density of states (LDOS), at the impurity except when the impurity, at half filling, is close to a mixed-valence regime. Next, in the central part of this paper, we studied the effects of finite Hubbard interaction on the chain at quarter filling. Our main result is that this interaction drives the impurity into a more defined Kondo regime although accompanied in most cases by a reduction of the spectral weight of the impurity LDOS. Again, for the impurity in the mixed-valence regime, we observed an interesting nonmonotonic behavior. We also concluded that the conductance, computed for a small finite bias applied to the leads, follows the behavior of the impurity LDOS, as in the case of noninteracting chains. Finally, we analyzed how the Hubbard interaction and the finite chain length affect the spin compensation cloud both at zero and at finite temperature, in this case using quantum Monte Carlo techniques.