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.
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.
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.
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.
The single-orbital Hubbard model is often a good description of the low energy dynamics of strongly correlated electron systems. Importantly, the single-orbital Hubbard model at half-filling is able to capture the Mott metal-insulator transition that occurs in many materials. However, there are insulating phases (as well as other exotic phases) that occur due to strong electronic correlations in materials that are away from half-filling. In many cases, these additional phases occur because the constituent electrons of the material come from multi-orbital atomic environments that require more complicated descriptions such as the multi-orbital Hubbard model. In other cases, as we show in this thesis, the rich phase diagram arises from the underlying lattice because of special geometric features.For example, decorated lattices, which often occur in organometallics (e.g., metal-organic frameworks (MOFs)), have geometrical complexity due to the molecular structures that decorate the lattice. We argue that the effective description for many of these materials is the single-orbital Hubbard model. Yet, these materials still have rich phase diagrams because the molecular structures of the material cause effective multi-orbital interactions generated from the local Coulomb interaction.We investigate the single-orbital Hubbard model on the decorated honeycomb lattice at zero temperature using rotationally invariant slave-boson (RISB) theory in the mean-field approximation, at a range of fillings. Numerous metal-insulator transitions occur - the insulating phases include a real-space Mott insulator, a dimer Mott insulator, a trimer Mott insulator, flat-band ferromagnets, and a spin-1 Mott insulator, dominated by spin-triplet fluctuations. This menagerie of phases is caused by effective multi-orbital interactions arising from the interplay of electronic correlations, lattice structure, and band filling effects. For example, with only on-site Coulomb interactions, the spin-1 Mott insulator is driven by an effective Hund's coupling on a three-site ring that favors the formation of triplets when the three-site ring has four electrons. We argue that this exotic phase may be realized in layers of the organometallic molecular crystal Mo3S7(dmit)3.
We use the Kotliar-Ruckenstein slave-boson formalism to study the temperature dependence of paramagnetic phases of the one-band Hubbard model for a variety of band structures. We calculate the Fermi liquid quasiparticle spectral weight Z and identify the temperature at which it decreases significantly to a crossover to a bad metal region. Near the Mott metal-insulator transition, this coherence temperature Tcoh is much lower than the Fermi temperature of the uncorrelated Fermi gas, as is observed in a broad range of strongly correlated electron materials. After a proper rescaling of temperature and interaction, we find a universal behavior that is independent of the band structure of the system. We obtain the temperature-interaction phase diagram as function of doping, and we compare the temperature dependence of the double occupancy, entropy, and charge compressibility with previous results obtained with dynamical mean-field theory. We analyze the stability of the method by calculating the charge compressibility.
To explore correlated electrons in the presence of local and nonlocal disorder, the Blackman-Esterling-Berk method for averaging over off-diagonal disorder is implemented into dynamical mean-field theory using tensor notation. The impurity model combining disorder and correlations is solved using the recently developed fork tensor-product state solver, which allows one to calculate the single particle spectral functions on the real-frequency axis. In the absence of off-diagonal hopping, we establish exact bounds of the spectral function of the noninteracting Bethe lattice with coordination number Z. In the presence of interaction, the Mott insulating paramagnetic phase of the one-band Hubbard model is computed at zero temperature in alloys with site- and off-diagonal disorder. When the Hubbard U parameter is increased, transitions from an alloy band insulator through a correlated metal into a Mott insulating phase are found to take place.
We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an interorbital hopping (interband hybridization). Both terms are relevant to the realistic description of correlated materials such as transition-metal oxides. The nature of the Mott metal-insulator transition is clarified and is found to depend on the magnitude of the crystal-field splitting. At large values of the splitting, a transition from a two-band to a one-band metal is first found as the on-site repulsion is increased and is followed by a Mott transition for the remaining band, which follows the single-band (Brinkman-Rice) scenario well documented previously within dynamical mean-field theory. At small values of the crystal-field splitting, a direct transition from a two-band metal to a Mott insulator with partial orbital polarization is found, which takes place simultaneously for both orbitals. This transition is characterized by a vanishing of the quasiparticle weight for the majority orbital but has a first-order character for the minority orbital. It is pointed out that finite-temperature effects may easily turn the metallic regime into a bad metal close to the orbital polarization transition in the metallic phase.