We investigate some thermodynamic and magnetic properties of the Hubbard model on two three-dimensional extensions of the Lieb lattice: the perovskite Lieb lattice (PLL) and the layered Lieb lattice (LLL). Using determinant quantum Monte Carlo (DQMC) simulations alongside Hartree-Fock and cluster mean-field theory approaches, we analyze how flat-band degeneracy, connectivity, and lattice anisotropy influence the emergence of magnetic order. Our results show that both geometries support finite-temperature magnetic transitions, namely, ferromagnetic (FM) on the PLL and antiferromagnetic (AFM) on the LLL. Further, we have established that the critical temperature
Tc, as a function of the uniform onsite coupling
U, displays a maximum, which is larger in the AFM case than in the FM one, despite the absence of flat bands in the LLL. We also provide numerical evidence to show that flat bands in the PLL rapidly generate magnetic moments, but a small interorbital coordination suppresses the increase of
Tc at large interaction strength
U/t. By contrast, the LLL benefits from higher connectivity, favoring magnetic order even in the absence of flat bands. The possibilities of anisotropic interlayer hoppings and inhomogeneous onsite interactions were separately explored. We have found that magnetism in the PLL is hardly affected by hopping anisotropy since the main driving mechanism is the preserved flat band; for the LLL, by contrast, spectral weight is removed from
d sites, which increases
Tc more significantly. At mean-field level, we have obtained that setting
U=0 on
p sites and $U={U}_{d}\ensuremath{\ne}0$ on
d sites leads to a quantum critical point at some
Ud; this behavior was not confirmed by our DQMC simulations.
We theoretically study magnetic properties of two-component cold fermions in half-filled multilayer Lieb optical lattices, i.e., two, three, and several layers, using the dynamical mean-field theory. We clarify that the magnetic properties of this system become quite different depending on whether the number of layers is odd or even. In odd-number layers in an odd-number-layer system, finite magnetization emerges even with an infinitesimal interaction. This is a striking feature of the flat-band ferromagnetic state in multilayer systems as a consequence of the Lieb theorem. In contrast, in even-number layers, magnetization develops from zero on a finite interaction. These different magnetic behaviors are triggered by the flat bands in the local density of states and become identical in the limit of the infinite-layer (i.e., three-dimensional) system. We also address how interlayer hopping affects the magnetization process. Further, we point out that layer magnetization, which is a population imbalance between up and down atoms on a layer, can be employed to detect the emergence of the flat-band ferromagnetic state without addressing sublattice magnetization.
The proximity of the Fermi surface to van Hove singularities drastically enhances interaction effects and leads to essentially new physics. In this work we address the formation of flat bands ("Fermi condensation") within the Hubbard model on the triangular lattice and provide a detailed analysis from an analytical and numerical perspective. To describe the effect we consider both weak-coupling and strong-coupling approaches, namely the renormalization group and dual fermion methods. It is shown that the band flattening is driven by correlations and is well pronounced even at sufficiently high temperatures, of the order of 0.1-0.2 of the hopping parameter. The effect can therefore be probed in experiments with ultracold fermions in optical lattices.
Using the dynamical mean-field theory (DMFT) with the numerical renormalization-group impurity solver we study the paramagnetic phase of the Hubbard model with the density of states (DOS) corresponding to the three-dimensional (3D) cubic lattice and the two-dimensional (2D) square lattice, as well as a DOS with inverse square-root singularity. We show that the electron correlations rapidly smooth out the square-root van Hove singularities (kinks) in the spectral function for the 3D lattice and that the Mott metal-insulator transition (MIT) as well as the magnetic-field-induced MIT differ only little from the well-known results for the Bethe lattice. The consequences of the logarithmic singularity in the DOS for the 2D lattice are more dramatic. At half filling, the divergence pinned at the Fermi level is not washed out, only its integrated weight decreases as the interaction is increased. While the Mott transition is still of the usual kind, the magnetic-field-induced MIT falls into a different universality class as there is no field-induced localization of quasiparticles. In the case of a power-law singularity in the DOS at the Fermi level, the power-law singularity persists in the presence of interaction, albeit with a different exponent, and the effective impurity model in the DMFT turns out to be a pseudogap Anderson impurity model with a hybridization function which vanishes at the Fermi level. The system is then a generalized Fermi liquid. At finite doping, regular Fermi-liquid behavior is recovered.
The properties of a phase at finite interactions can be significantly influenced by the underlying dispersion of the noninteracting Hamiltonian. We demonstrate this by studying the repulsive Hubbard model on the two-dimensional Lieb lattice, which has a flat band for vanishing interaction
U. We perform real-space dynamical mean-field theory calculations at different temperatures and dopings using a continuous-time quantum Monte Carlo impurity solver. Studying the frequency dependence of the self-energy, we find that a nonmagnetic metallic region at finite temperature displays non-Fermi-liquid behavior, which is a concomitant of the flat-band singularity. At half-filling, we also find a magnetically ordered region, where the order parameter varies linearly with the interaction strength, and a strongly correlated Mott insulating phase. The double occupancy decreases sharply for small
U, highlighting the flat-band contribution. Away from half-filling, we observe the stripe order, i.e., an inhomogeneous spin and charge density wave of finite wavelength, which turns into a sublattice ordering at higher temperatures.
We develop a general description of the superconductivity of lattice fermions based on the BCS theory. We propose a modeling of the density of states (DOS) of lattice fermions, where divergent and semi-metallic structures are described by asymptotic expansions around the Fermi energy. This modeling leads to a unified representation of the transition temperature
Tc at half filling, which reproduces asymptotic forms of
Tc derived in several lattices, such as the square, honeycomb, and Lieb lattices, for the weakly interacting limit. The derived asymptotic forms of
Tc are categorized into four types, which is attributed to the different responses of the degenerate fermions depending on the DOS structures. The DOS with a delta-functional singularity induces the highest
Tc in the weakly interacting region, where
Tc is linearly proportional to the pairing interaction
U. Three kinds of universal ratios defined in the BCS theory no longer reduce to constants independent of the system parameters but can be parameterized with a certain variable that characterizes the singular structures of the DOS. We find universal relationship among thermodynamic quantities that holds for all parameter regions. Further, we numerically demonstrate that in multi-band systems the correlation effects can induce an effective delta-functional singularity. This phenomenon generally appears in multi-energy (or multi-gap) systems and may provide a plausible guideline for material designs of high-
Tc superconductor.