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arXiv:2410.07894 · Physical review. B./Physical review. B

Site-selective correlations in interacting flat-band quasicrystals

Yuxi Zhang, Richard T. Scalettar, Rafael M. Fernandes

Published Jul 7, 2025• 1 citation
arXivHTMLPDF

Abstract

Model lattices such as the kagome and Lieb lattices have been widely investigated to elucidate the properties of interacting flat-band systems. While a quasicrystal does not have proper bands, the non-interacting density of states of several of them displays the typical signature of a flat band pinned at the Fermi level: a delta-function zero-energy peak. Here, we employ quantum Monte Carlo simulations to determine the effect of onsite repulsion on these quasicrystals. While global properties such as the antiferromagnetic structure factor and the specific heat behave similarly as in the case of periodic lattices undergoing a Mott transition, the behavior of the local density of states depends on the coordination number of the site. In particular, sites with the smallest coordination number, which give the dominant spectral-weight contribution to the zero-energy peak, are the ones most strongly impacted by the interaction. Besides establishing site-selective correlations in quasicrystals, our work also points to the importance of the real-space structure of flat bands in interacting systems.

DOI
10.1103/77l3-krmj

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•Jan 1, 2026•0 citations
Model lattices such as the kagome and Lieb lattices have been widely investigated to elucidate the properties of interacting flat-band systems. While a quasicrystal does not have proper bands, the non-interacting density of states of several of them displays the typical signature of a flat band pinned at the Fermi level: a delta-function zero-energy peak. Here, we employ quantum Monte Carlo simulations to determine the effect of onsite repulsion on these quasicrystals. While global properties such as the antiferromagnetic structure factor and the specific heat behave similarly as in the case of periodic lattices undergoing a Mott transition, the behavior of the local density of states depends on the coordination number of the site. In particular, sites with the smallest coordination number, which give the dominant spectral-weight contribution to the zero-energy peak, are the ones most strongly impacted by the interaction. Besides establishing site-selective correlations in quasicrystals, our work also points to the importance of the real-space structure of flat bands in interacting systems.
The physics of strongly correlated quantum particles within a flat band was originally explored as a route to itinerant ferromagnetism and, indeed, a celebrated theorem by Lieb rigorously establishes that the ground state of the repulsive Hubbard model on a bipartite lattice with an unequal number of sites in each sublattice must have nonzero spin SSS at half filling. Recently, there has been interest in Lieb geometries due to the possibility of topological insulator, nematic, and Bose-Einstein condensed (BEC) phases. In this paper, we extend the understanding of the attractive Hubbard model on the Lieb lattice by using determinant quantum Monte Carlo to study real space charge and pair correlation functions not addressed by the Lieb theorems. Specifically, our results show unusual charge and charge transfer signatures within the flat band, and a reduction in pairing order at $\ensuremath{\rho}=2/3$ and $\ensuremath{\rho}=4/3$, the points at which the flat band is first occupied and then completely filled. We compare our results to the case of flat bands in the Kagome lattice and demonstrate that the behavior observed in the two cases is rather different.
Flat-band systems have attracted significant attention as platforms for studying strongly correlated electron physics, where the dominance of electron-electron interactions over kinetic energy gives rise to a variety of emergent phenomena. Quasicrystals are compelling systems for studying these phenomena as they host degenerate strictly localized states at zero energy due to perfect destructive interference patterns. In this study, we use the slave-rotor mean-field approach to investigate the effects of electron interactions within the Hubbard model on the Ammann-Beenker quasicrystal. The phase diagram characterizing metallic and Mott insulator regions indicates a first-order phase transition. Our analysis shows that the local coordination number affects the local quasiparticle weight, displaying varying metallicity across the sites. Furthermore, we focus on the strictly localized states that arise in the noninteracting limit. We find that interactions and deviation from particle-hole symmetry induce spectral splitting, broadening, and partial delocalization of the localized states, depending on the local environment. In particular, certain localized states with higher coordination numbers remain more robust compared to others. Our results highlight the critical role of local geometry in shaping correlation effects in flat-band quasicrystals.
Kagome metals exhibit a rich interplay of topology, electronic correlations, and lattice dynamics. Recent discoveries of Kagome materials with a flat band near the Fermi level have revealed a variety of correlated electronic phases. However, elucidating their microscopic origin remains challenging, as realistic descriptions require accounting for multiple orbitals and competing interactions on an equal footing. To disentangle correlation effects from material-specific details and identify the essential physics of the flat-band regime, we study the single-orbital Kagome-Hubbard model at flat-band fillings using dynamical mean-field theory. We find strong signatures of flat-band ferromagnetism, consistent with exact and mean-field ground-state results. Moreover, we uncover an unconventional quasi-ordered phase in which a partially filled spin-polarized flat band pinned at the Fermi level gives rise to persistent local spin fluctuations down to zero temperature, in striking contrast to the classical behavior expected for a conventional ferromagnet. Our results demonstrate that these anomalous fluctuations are an intrinsic consequence of the flat-band degeneracy and establish a minimal framework for understanding correlation effects in flat-band Kagome systems.
Motivated by recent research works on the flat-band correlated electron systems, we construct a plaquette-Lieb lattice, which exhibits nearly flat bands close to the Fermi level around half-filling, when the inter-plaquette hopping integral is much smaller than the intra-plaquette one. A detailed comparison study with the well-known checkerboard lattice indicates that there exist significant differences for the pairing property between the two lattices, and the nearly flat bands on the plaquette-Lieb lattice strongly enhance the [Formula: see text]-wave pairing correlation for repulsive on-site Hubbard interaction and [Formula: see text]-wave pairing correlation for attractive on-site Hubbard interaction. Our study not only provides a new lattice with nearly flat bands, but also deepens the understanding of electronic structure on superconductivity.
While many-body effects in flat-band systems are receiving renewed hot interest in condensed-matter physics for superconducting and topological properties as well as for magnetism, studies have primarily been restricted to multiband systems (with coexisting flat and dispersive bands). Here we focus on one-band systems where a band is ``partially flat,'' comprising flat and dispersive portions in kkk space to reveal whether intriguing correlation effects can already arise on the simplest possible one-band level. For that, the two-dimensional repulsive Hubbard model is studied for two models having different flat areas in an intermediate-coupling regime with the dynamical mean-field theory combined with the fluctuation exchange approximation. We have a crossover from ferromagnetic to antiferromagnetic spin fluctuations as the band filling is varied and this triggers, for the model with a wider flat portion, a triplet-pair superconductivity favored over an unusually wide filling region, which is taken over by a sharply growing singlet pairing. For the model with a narrower flat portion, TC{T}_{C}TC​ against filling exhibits an unusual double-peaked TC{T}_{C}TC​ dome, associated with different numbers of nodes in the gap function having remarkably extended pairs in real space. We identify these as a manifestation of the physics outside the conventional nesting physics where only the pair scattering across the Fermi surface in designated (hot) spots is relevant. Another correlation effect arising from the flattened band is found in a non-Fermi-liquid behavior as detected in the momentum distribution function, frequency dependence of the self-energy, and spectral function. These indicate that unusual correlation physics can indeed occur in flat-band systems.
In lattice models, destructive interference can quench single-particle motion and produce (nearly) dispersionless Bloch bands, known as flat bands. Suppressing kinetic energy enhances the role of interactions and can lead to pairing, constrained dynamics, and localization-like behavior even in translationally invariant settings. This thesis studies attractive Hubbard-type interactions in such flat-band systems using an isolated-band (projected) description, which yields an effective Hamiltonian in a Wannier-orbital basis. The π-flux dice lattice is a convenient focus because its two lowest bands are perfectly flat and degenerate, and their subspace admits compactly localized Wannier functions. This makes the projection straightforward to implement and yields a projected Hamiltonian with a simple, short-range structure. A one-dimensional reference model is used alongside the dice lattice to separate and benchmark the effects of different processes. In Publication I, we construct a class of exact many-body eigenstates of the projected Hamiltonian of generic lattice models with flat bands in which localized unpaired quasiparticles coexist with a background of paired particles in the zero-momentum state. This general result motivates the study of a specific model, the π-flux dice-lattice. Using exact diagonalization and realtime evolution from few-particle initial states, we show that two-body bound states behave ergodically. At the same time, the density and spin distribution retain strong memory of the initial quasiparticle positions at long times. These results demonstrate localization-like dynamics in a translationally invariant flat-band model, where memory arises from projection-induced constraints rather than quenched disorder. In Publication II, we introduce a one-dimensional on-site/bond singlet model whose terms mirror those of the projected dice-lattice Hamiltonian, with tunable couplings controlling their relative strengths. Exact diagonalization shows that, for some couplings, the spectrum and dynamics of the on-site/bond-singlet model closely reproduce those of the projected dice lattice. We then use spectral statistics to probe how the different dynamical regimes manifest in energy-level correlations. In Publication III, we apply spectral statistics to the projected dice lattice using higher-order spacing and gap-ratio diagnostics. We find a robust parity dependence: even particle-number sectors show multi-block GOE behavior within fixed symmetry sectors, while odd particle-number sectors exhibit exact doublets and inter-doublet correlations that are GUE at even orders. The appearance of distinct random-matrix ensembles (GOE and GUE) within the same physical model is an unusual and interesting feature, which calls for a deeper understanding of the hidden symmetry structure of the Hamiltonians obtained by projecting onto the flat-band subspace in the dice lattice and other lattice models with flat bands realized with ultracold gases in optical lattices and in the newly discovered class of moiré materials.