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arXiv:2203.07348 · Physical review. B./Physical review. B

Emergent soft-gap Anderson models at quantum criticality in a lattice Hamiltonian within dynamical mean field theory

K. K. Sujan, Vinayak M. Kulkarni, N. S. Vidhyadhiraja, Sudeshna Sen

Published May 1, 2023• 2 citations
arXivHTMLPDF

Abstract

Local quantum criticality in itinerant fermion systems has been extensively investigated through the soft-gap Anderson impurity model, wherein a localized, correlated impurity hybridizes with a broad conduction band with a singular, ${|\ensuremath{\omega}|}^{r}$, density of states. However, lattice models hosting quantum critical points (QCPs) do not appear to have such a spectrum emerging at the QCP. In this work, we report the emergence of such a singular form of the density of states in a three-orbital lattice model, within dynamical mean field theory, precisely at a quantum critical point, separating a gapless, Fermi liquid (FL) metallic phase from a gapped, Mott insulating phase. A temperature-dependent exponent, $\ensuremath{\alpha}$, defined using the corresponding Matsubara self-energy, is found to vary from $+1$ deep in the FL regime, to $\ensuremath{-}1$ in the Mott insulator regime. Interestingly, we find that $\ensuremath{\alpha}$ becomes temperature-independent, and hence isosbestic, precisely at the QCP. The isosbestic exponent is shown to lead to an emergent soft-gap spectrum, ${|\ensuremath{\omega}|}^{r}$, at the QCP, where $r=|{\ensuremath{\alpha}}_{\mathrm{iso}}|$. We discuss the implications of our findings for non-Fermi-liquid behavior in the quantum critical region of the phase diagram.

DOI
10.1103/physrevb.107.205104

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Local quantum criticality in itinerant fermion systems has been extensively investigated through the soft-gap Anderson impurity model, wherein a localized, correlated impurity hybridizes with a broad conduction band with a singular, ∣\ensuremathω∣r{|\ensuremath{\omega}|}^{r}∣\ensuremathω∣r, density of states. However, lattice models hosting quantum critical points (QCPs) do not appear to have such a spectrum emerging at the QCP. In this work, we report the emergence of such a singular form of the density of states in a three-orbital lattice model, within dynamical mean field theory, precisely at a quantum critical point, separating a gapless, Fermi liquid (FL) metallic phase from a gapped, Mott insulating phase. A temperature-dependent exponent, \ensuremathα\ensuremath{\alpha}\ensuremathα, defined using the corresponding Matsubara self-energy, is found to vary from +1+1+1 deep in the FL regime, to \ensuremath−1\ensuremath{-}1\ensuremath−1 in the Mott insulator regime. Interestingly, we find that \ensuremathα\ensuremath{\alpha}\ensuremathα becomes temperature-independent, and hence isosbestic, precisely at the QCP. The isosbestic exponent is shown to lead to an emergent soft-gap spectrum, ∣\ensuremathω∣r{|\ensuremath{\omega}|}^{r}∣\ensuremathω∣r, at the QCP, where r=∣\ensuremathαiso∣r=|{\ensuremath{\alpha}}_{\mathrm{iso}}|r=∣\ensuremathαiso​∣. We discuss the implications of our findings for non-Fermi-liquid behavior in the quantum critical region of the phase diagram.
We study paramagnetic quantum criticality in the periodic Anderson model (PAM) using cellular dynamical mean-field theory (CDMFT), with the numerical renormalization group (NRG) as a cluster impurity solver. The PAM describes itinerant c electrons hybridizing with a lattice of localized f electrons. At zero temperature, it exhibits a much-studied quantum phase transition from a Kondo phase to a Ruderman-Kittel-Kasuya-Yosida (RKKY) phase when the hybridization is decreased through a so-called Kondo breakdown quantum critical point (KB QCP). There, Kondo screening of f spins by c electrons breaks down, so that f excitations change their character from somewhat itinerant to mainly localized, while c excitations remain itinerant. Building on , which interpreted the KB transition as an orbital-selective Mott transition, we here elucidate its nature in great detail by performing a high-resolution, real-frequency study of various dynamical quantities (susceptibilities, self-energies, and spectral functions). NRG allows us to study the quantum critical regime governed by the QCP and located between two temperature scales, T FL < T NFL . In this regime, we find fingerprints of non-Fermi-liquid (NFL) behavior in several dynamical susceptibilities. Surprisingly, CDMFT self-consistency is essential to stabilize the QCP and the NFL regime. The Fermi-liquid (FL) scale T FL decreases toward and vanishes at the KB QCP; at temperatures below T FL , FL behavior emerges. At T = 0 , we find the following properties. The KB transition is continuous. The f quasiparticle weight decreases continuously as the transition is approached from either side, vanishing only at the KB QCP. Therefore, the quasiparticle weight of the f band is nonzero not only in the Kondo phase, but also in the RKKY phase; hence, the FL quasiparticles comprise c f electrons in both phases. The Fermi surface (FS) volumes in the two phases differ, implying a FS reconstruction at the KB QCP. Whereas the large-FS Kondo phase has a two-band structure as expected, the small-FS RKKY phase unexpectedly has a three-band structure. We provide a detailed analysis of quasiparticle properties of both the Kondo and, for the first time, also the RKKY phase and uncover their differences. The FS reconstruction is accompanied by the appearance of a Luttinger surface on which the f self-energy diverges. The volumes of the Luttinger and Fermi surfaces are related to the charge density by a generalized Luttinger sum rule. We interpret the small FS volume and the emergent Luttinger surface as evidence for f -electron fractionalization in the RKKY phase. Finally, we compute the temperature dependence of the Hall coefficient and the specific heat, finding good qualitative agreement with experiments. Published by the American Physical Society 2024
The pseudogap Anderson impurity model provides a classic example of an essentially local quantum phase transition. Here we study its single-particle dynamics in the vicinity of the symmetric quantum critical point (QCP) separating generalized Fermi-liquid and local-moment phases, via the local-moment approach. Both phases are shown to be characterized by a low-energy scale that vanishes at the QCP; and the universal scaling spectra, on all energy scales, are obtained analytically. The spectrum precisely at the QCP is also obtained; its form showing clearly the non–Fermi-liquid, interacting nature of the fixed point.
Abstract The phenomenon of Mott insulation involves the localisation of itinerant electrons due to strong local repulsion. Upon doping, a pseudogap (PG) phase emerges—marked by selective gapping of the Fermi surface without conventional symmetry breaking in spin or charge channels. A key challenge is understanding how quasiparticle breakdown in the Fermi liquid (FL) gives rise to this enigmatic state, and how it connects to both the Mott insulating and superconducting phases. Here, we develop a renormalisation-based construction of strongly correlated lattice models that captures the emergence of the PG phase and its transition to a Mott insulator. Applying a many-body tiling scheme to the fixed-point impurity model uncovers a lattice model with electron interactions and Kondo physics. At half-filling, the interplay between Kondo screening and bath charge fluctuations in the impurity model leads to FL breakdown. This reveals a PG phase characterised by a non-FL (the Mott metal) residing on nodal arcs, gapped antinodal regions of the Fermi surface, and an anomalous scaling of the electronic scattering rate with frequency. The eventual confinement of holon–doublon excitations of this exotic metal obtains a continuous transition into the Mott insulator. Our results identify the PG as a distinct long-range entangled quantum phase, and offer a new route to Mott criticality beyond the paradigm of local quantum criticality.
We study the quantum phase transition in f-electron systems as a quantum Lifshitz transition driven by selective-Mott localization in a realistic extended Anderson lattice model. Using dynamical mean-field theory (DMFT), we find that a quantum critical phase with anomalous ω/T scaling separates a heavy Landau-Fermi liquid from ordered phase(s). This non-Fermi liquid state arises from a lattice orthogonality catastrophe originating from orbital-selective Mott localization. Fermi surface reconstruction occurs via the interplay between and penetration of the Green function zeros to the poles, leading to violation of Luttinger's theorem in the strange metal. We show how this naturally leads to scale-invariant responses in transport. Thus, our work represents a specific DMFT realization of the hidden-FL and FL* theories, and holds promise for the study of 'strange' metal phases in quantum matter.
The local moment approach (LMA) has presented itself as a powerful semianalytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low-energy Kondo scale for the single impurity model, having excellent agreement with the Bethe ansatz and numerical renormalization group (NRG) results. However, the most common correlated lattice model, the Hubbard model, has not been explored well within the LMA+DMFT framework beyond the insulating phase. Here in our work, within the framework we complete the filling-interaction phase diagram of the single band Hubbard model at zero temperature. Our formalism is generic to any particle filling and can be extended to finite temperature. We contrast our results with another QIS, namely the iterated perturbation theory (IPT) and show that the second spectral moment sum rule improves better as the Hubbard interaction strength grows stronger in LMA, whereas it severely breaks down after the Mott transition in IPT. For the metallic case, the Fermi liquid (FL) scaling agreement with the NRG spectral density supports the fact that the FL scale emerges from the inherent Kondo physics of the impurity model. We also show that, in the metallic phase, the FL scaling of the spectral density leads to universality which extends to infinite frequency range at infinite correlation strength (strong coupling). At large interaction strength, the off half-filling spectral density forms a pseudogap near the Fermi level and filling-controlled Mott transition occurs as one approaches the half-filling. As a response property, we finally study the zero temperature optical conductivity and find universal features such as absorption peak position governed by the FL scale and a doping independent crossing point, often dubbed the isosbestic point in experiments.
Using exact quantum Monte Carlo calculations, we examine the interplay between localization of electronic states driven by many-body correlations and that by randomness in a two-dimensional system featuring linearly vanishing density of states at the Fermi level. A novel disorder-induced nonmagnetic insulating phase is found to emerge from the zero-temperature quantum critical point separating a semimetal and a Mott insulator. Within this phase, a phase transition from a gapless Anderson-like insulator to a gapped Mott-like insulator is identified. Implications of the phase diagram are also discussed.