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arXiv:2503.05870 · Physical review. B./Physical review. B

Impurity-induced Mott ring states and Mott zeros ring states in the Hubbard operator formalism

Emile Pangburn, Anurag Banerjee, C. Pépin, Cristina Bena B

Published Sep 4, 2025• 3 citations
arXivHTMLPDF

Abstract

We study the formation of subgap impurity states in strongly correlated Mott insulators. We use a composite operator method that gives us access to both the bulk Green's function, as well as to the real-space Green's function in the presence of an impurity. Similar to the non-interacting systems, we show that the formation of impurity subgap states at large impurity potential ("Mott ring states") depends rather on the band-mixing, than on the topological character of the system. Thus even a trivial Mott insulator can under certain conditions exhibit ring states. For the system studied here the band mixing is that between the holon and doublon elementary excitations rather than an orbital mixing. Moreover we study the formation of bands of zeros in the correlated Green's function, believed to exhibit a free quasiparticle-like behavior. We show that in the presence of an impurity the same conclusion can be applied, i.e. ``Mott zeros ring states" form in the presence of topological bands of zeros, but also for trivial quasi-flat bands of zeros with band mixing.

DOI
10.1103/lysb-n9zp

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We study the formation of subgap impurity states in strongly correlated Mott insulators. We use a composite operator method that gives us access to both the bulk Green's function, as well as to the real-space Green's function in the presence of an impurity. Similar to the non-interacting systems, we show that the formation of impurity subgap states at large impurity potential ("Mott ring states") depends rather on the band-mixing, than on the topological character of the system. Thus even a trivial Mott insulator can under certain conditions exhibit ring states. For the system studied here the band mixing is that between the holon and doublon elementary excitations rather than an orbital mixing. Moreover we study the formation of bands of zeros in the correlated Green's function, believed to exhibit a free quasiparticle-like behavior. We show that in the presence of an impurity the same conclusion can be applied, i.e. ``Mott zeros ring states" form in the presence of topological bands of zeros, but also for trivial quasi-flat bands of zeros with band mixing.
Topology without quasiparticles has emerged as a key framework for understanding Mott insulators, where Green's-function zeros encode nontrivial topological structure. Yet, experimental detection of these zeros represents a challenge. Using exact diagonalization of the one-dimensional Hubbard model with an impurity and Zeeman field, supported by exact analytic results, we show that Green's-function zeros manifest as an in-gap spectral weight in the unitary scattering regime. In this limit, we map the impurity problem onto a doped Mott insulator and identify the resulting in-gap state as a "zeron" excitation which is a localized doublon (holon) for an attractive (repulsive) potential. The zeron spectral weight and its associated zero vanish above a critical Zeeman field. Our results imply that Green's function zeros have in fact already been observed in experiments, and establish impurity and magnetic-field tuning as practical tools for controlling their topology.
We investigate the emergence of topological features in the charge excitations of Mott insulators in the Chern-Hubbard model. In the strong correlation regime, treating electrons as the sum of holons and doublons excitations, we compute the topological phase diagram of Mott insulators at half-filling using composite operator formalism. The Green function zeros manifest as the tightly bound pairs of such elementary excitations of the Mott insulators. Our analysis examines the winding number associated with the occupied Hubbard bands and the band of Green's function zeros. We show that both the poles and zeros show gapless states and zeros, respectively, in line with bulk-boundary correspondence. The gapless edge states emerge in a junction geometry connecting a topological Mott band insulator and a topological Mott zeros phase. These include an edge electronic state that carries a charge and a charge-neutral gapless zero mode. Our study is relevant to several twisted materials with flat bands where interactions play a dominant role.
In this work, we investigate impurity-induced Friedel oscillations in the doped two-dimensional Hubbard model, focusing on the role of holon and doublon excitations. We show that weak impurities, due to the non-fermionic nature of the underlying quasiparticles, induce Friedel oscillations whose behavior is consistent with an effective non-interacting theory for these quasiparticles, and whose wavevector reflects the violation of Luttinger's theorem. At larger impurity strength, the system transitions to a phase-separated state composed of coexisting Mott-insulating (half-filled) and hole-rich regions. Within the composite operator framework, this phase separation arises from a competition between the kinetic energy of holons and the tendency to form tightly bound holon-doublon pairs. Our results offer new insights into the nature of charge carriers and the emergent electronic phases in the doped Mott regime.
The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green's function zeros defining the "Luttinger surface" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of "topological antimatter" annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green's function zeros.
Many strongly correlated electron systems fall outside the conventional quasiparticle paradigm. Their low-energy fermionic excitations need not be adiabatically connected to the bare electrons or appear as poles of the physical electron single-particle Green's function. This thesis investigates to what extent an effective quasiparticle description can nevertheless survive, and which emergent degrees of freedom provide the appropriate low-energy structure. First, the interaction-driven evolution from a quantum spin Hall insulator to a Mott insulator is studied using the dynamical cluster approximation. Dispersive zeros of the single-particle Green's function emerge near the Mott transition and retain a nontrivial topological character. When symmetry breaking is allowed, a nontopological excitonic insulator is found to intrude between quantum spin Hall and Mott insulators. Encoding both poles and zeros within a low-energy quasiparticle Hamiltonian provides a continuous one-body description of the three phases. On the Mott side, its gap evolution supports interpreting the soft excitonic mode as a bound state of quasiparticle and quasihole excitations tied to the Green's function zeros, rather than to the widely separated Hubbard bands. Second, the intrinsic anomalous Hall conductivity of a topological metal is analyzed within a multiband extension of Landau Fermi-liquid theory. Residual interactions among quasiparticles at the Fermi surface dress the dynamic current vertex and generate corrections to the Berry-curvature contribution obtained from the quasiparticle bands alone. Our result supports recent claims that the correct expressions for topological observables include vertex corrections besides the topological invariants built just upon the Green's function. It also demonstrates that such corrections are naturally accounted for by Landau Fermi-liquid theory. Extracting the relevant ingredients for an effective description of material-relevant correlated systems requires computational tools that remain reliable at low temperatures. To this end, a deterministic strong-coupling impurity solver for dynamical mean-field theory is discussed. By providing static, dynamical, and thermodynamic observables without stochastic sampling, it offers a promising route toward multiorbital and spin-orbit coupled problems where conventional Monte Carlo methods currently struggle. Finally, the auxiliary quasiparticle framework underlying the ghost-Gutzwiller Ansatz is investigated. On a model for correlated quantum spin Hall insulators, we show that the topology of the interacting state is encoded in the auxiliary one-body Hamiltonian. The resulting band-structure reveals topological Hubbard bands whose topological character can be tuned through a finite magnetization. When applied to the single-band t-J model, the same framework yields a fractionalized Fermi liquid (FL*). In this phase, dispersive neutral spinons, with vanishing physical-electron spectral weight, coexist with conventional quasiparticles forming a small hole-like Fermi surface, thus violating Luttinger's theorem. The corresponding temperature--doping phase diagram contains a low-doping FL*, a d-wave superconducting dome, and an overdoped conventional Fermi liquid, thereby reproducing key qualitative features of cuprate phenomenology.
Motivated by the recent measurements of the spatial distribution of single particle excitation states in a hole-doped Mott insulator, we study the effects of impurity on the in-gap states, induced by the doped holes, in the Hubbard model on the square lattice by the cluster perturbation theory. We find that a repulsive impurity potential can move the in-gap state from the lower Hubbard band towards the upper Hubbard band, providing a good account for the experimental observation. The distribution of the spectral function in the momentum space can be used to discriminate the in-gap state induced by doped holes and that by the impurity. The spatial characters of the in-gap states in the presence of two impurities are also discussed and compared to the experiment.