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arXiv:1006.4022 · Physical Review B

Quantum phase transition in a gapped Anderson model: A numerical renormalization group study

Cătălin Paşcu Moca, Adrian Roman

Published Jun 9, 2010• 14 citations
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Abstract

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.

DOI
10.1103/physrevb.81.235106

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We use the numerical renormalization group method to investigate the spectral properties of a single-impurity Anderson model with a gap \ensuremathδ\ensuremath{\delta}\ensuremathδ across the Fermi level in the conduction-electron spectrum. For any finite \ensuremathδ>0\ensuremath{\delta}>0\ensuremathδ>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 \ensuremathδ\ensuremath{\delta}\ensuremathδ, and the system evolves from the strong-coupling (SC) Kondo-type state, corresponding to \ensuremathδ<\ensuremathδC\ensuremath{\delta}<{\ensuremath{\delta}}_{C}\ensuremathδ<\ensuremathδC​ toward a localized moment (LM) regime for \ensuremathδ>\ensuremathδC\ensuremath{\delta}>{\ensuremath{\delta}}_{C}\ensuremathδ>\ensuremathδC​. 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.
Quantum impurity models are the prototypical examples of quantum many-body dynamics which manifests in their spectral and transport properties. Single channel Anderson(and Kondo model) leads to the Fermi liquid ground state in the strong coupling regime which corresponds to a stable infrared fixed point at which the quantum impurity gets completely screened by the conduction electrons. Quantum impurity models with non-trivial density of states exhibit quantum phase transition and this quantum criticality lies in the universality class of local quantum critical systems. In this paper, we report first study of the flow equation renormalization of gapped Kondo model which has gapped density of states, the gap being at the Fermi level. Flow equation renormalization group method has proved to be one of the very robust renormalization methods to study Kondo physics both in equilibrium as well as in non-equilibrium. Here we have shown that this method can also be employed to study local quantum criticality. We have calculated the flow equations for the Kondo coupling and solved them for various values of the gap parameter and we find that there is suppression of Kondo divergence as gap is increased which signifies that as gap is increased, renormalization flow goes away from the strong coupling fixed point. We have also calculated the spin susceptibility and we find that as gap is increased, susceptibility goes over to the Curie behaviour and hence confirming the renormalization flow towards the local moment fixed point.
The symmetric Anderson impurity model with a hybridization vanishing at the Fermi level, Δ I ∝|ω| r , is studied via the numerical renormalization group (NRG) at T = 0; and detailed comparison made with predictions arising from the local moment approach (LMA), a recently developed many-body theory which is found to provide a remarkably successful description of the problem. Results for the `normal' ( r = 0) impurity model are obtained as a specific case, and likewise compared. Particular emphasis is given both to single-particle excitation dynamics, and to the transition between the strong-coupling (SC) and local moment (LM) phases of the model. Scaling characteristics and asymptotic behaviour of the SC/LM phase boundaries are considered. Single-particle spectra D (ω) are investigated in some detail, for the SC phase in particular. Here, in accordance with a recently established result, the modified spectral functions ℱ(ω)∝|ω| r D (ω) are found to contain a generalized Kondo resonance that is ubiquitously pinned at the Fermi level; and which exhibits a characteristic low-energy Kondo scale, ω K ( r ), that narrows progressively upon approach to the SC→LM transition, where it vanishes. Universal scaling of the spectra as the transition is approached thus results. The scaling spectrum characteristic of the normal Anderson model is recovered as a particular case, that exemplifies behaviour characteristic of the SC phase generally, and which is captured quantitatively by the LMA. In all cases the r -dependent scaling spectra are found to possess characteristic low-energy asymptotics, but to be dominated by generalized Doniach-Sunjic tails, in agreement with LMA predictions.
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 investigate quantum phase transitions in the extended periodic Anderson model, which includes electron correlations within and between itinerant and localized bands. We calculate zero and finite temperature properties of the system using the combination of dynamical mean-field theory and the numerical renormalization group. At half filling, a first-order phase transition between a Mott insulating state and a Kondo insulating state occurs in the strong-coupling regime. We furthermore find that a metallic state is stabilized in the weak-coupling regime. This state should be adiabatically connected to the orbital selective Mott state with one orbital-localized and the other itinerant. The effect of hole doping is also addressed.
We investigate a model of two Kondo impurities coupled via an Ising interaction. Exploiting the mapping to a generalized single-impurity Anderson model, we establish that the model has a singlet and a (pseudospin) doublet phase separated by a Kosterlitz-Thouless quantum phase transition. Based on a strong-coupling analysis and renormalization-group arguments, we show that at this transition the conductance GGG through the system either displays a zero-bias anomaly, $G\ensuremath{\sim}{\ensuremath{\mid}V\ensuremath{\mid}}^{\ensuremath{-}2(\sqrt{2}\ensuremath{-}1)}$, or takes a universal value, $G=({e}^{2}∕\ensuremath{\pi}\ensuremath{\hbar}){\mathrm{cos}}^{2}(\ensuremath{\pi}∕2\sqrt{2})$, depending on the experimental setup. Close to the Toulouse point of the individual Kondo impurities, the strong-coupling analysis allows us to obtain the location of the phase boundary analytically. For general model parameters, we determine the phase diagram and investigate the thermodynamics using numerical renormalization-group calculations. In the singlet phase close to the quantum phase transition, the entropy is quenched in two steps: first the two Ising-coupled spins form a magnetic minidomain which is, in a second step, screened by a Kondoesque collective resonance in an effective solitonic Fermi sea. In addition, we present a flow-equation analysis which provides a different mapping of the two-impurity model to a generalized single-impurity Anderson model in terms of fully renormalized couplings, which is applicable for the whole range of model parameters.
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.