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.
The noninteracting electronic structures of tight-binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat bands. When a uniform on-site Hubbard interaction
U is turned on, Lieb proved rigorously that at half-filling ($\ensuremath{\rho}=1$) the ground state has a nonzero spin. In this paper we consider a ``
CuO2 lattice'' (also known as ``Lieb lattice,'' or as a decorated square lattice), in which ``
d orbitals'' occupy the vertices of the squares, while ``
p orbitals'' lie halfway between two
d orbitals; both
d and
p orbitals can accommodate only up to two electrons. We use exact determinant quantum Monte Carlo (DQMC) simulations to quantify the nature of magnetic order through the behavior of correlation functions and sublattice magnetizations in the different orbitals as a function of
U and temperature; we have also calculated the projected density of states, and the compressibility. We study both the homogeneous (H) case,
Ud=Up, originally considered by Lieb, and the inhomogeneous (IH) case, ${U}_{d}\ensuremath{\ne}{U}_{p}$. For the H case at half-filling, we found that the global magnetization rises sharply at weak coupling, and then stabilizes towards the strong-coupling (Heisenberg) value, as a result of the interplay between the ferromagnetism of like sites and the antiferromagnetism between unlike sites; we verified that the system is an insulator for all
U. For the IH system at half-filling, we argue that the case ${U}_{p}\ensuremath{\ne}{U}_{d}$ falls under Lieb's theorem, provided they are positive definite, so we used DQMC to probe the cases
Up=0,Ud=U and
Up=U,Ud=0. We found that the different environments of
d and
p sites lead to a ferromagnetic insulator when
Ud=0; by contrast,
Up=0 leads to to a metal without any magnetic ordering. In addition, we have also established that at density $\ensuremath{\rho}=1/3$, strong antiferromagnetic correlations set in, caused by the presence of one fermion on each
d site.
In this work, we investigate the electronic and magnetic properties of the two-dimensional square-octagon structure (2DSOS) using a tight-binding framework augmented by on-site Coulomb interaction. We examine how varying hopping parameters, magnetic flux, and interaction strength influence the system’s band structure, dynamical transverse spin susceptibility (DTSS), and static spin structure factor (SSSF). Our findings reveal the emergence of a flat band when the third-nearest-neighbor hopping term t 3 equals the nearest-neighbor hopping t 1 , significantly affecting the magnetic response. The frequency dependence of the DTSS demonstrates that both magnetic flux and Coulomb repulsion shift the resonance peaks to higher frequencies and suppress their intensities, indicating a suppression of low-energy spin fluctuations. Moreover, the temperature dependence of the SSSF underlines a transition from paramagnetic to ferromagnetic behavior as the ratio t 2 /t 1 increases. These results highlight the crucial role of electronic correlations and lattice geometry in shaping the spin dynamics of flat-band systems and offer valuable insights for designing future spintronic and correlated electron devices.
We explore the effect of inhomogeneity on electronic properties of the two-dimensional Hubbard model on a square lattice using dynamical mean-field theory (DMFT). The inhomogeneity is introduced via modulated lattice hopping such that in the extreme inhomogeneous limit the resulting geometry is a Lieb lattice, which exhibits a flat-band dispersion. The crossover can be observed in the uniform sublattice magnetization which is zero in the homogeneous case and increases with the inhomogeneity. Studying the spatially resolved frequency-dependent local self-energy, we find a crossover from Fermi-liquid to non-Fermi-liquid behavior happening at a moderate value of the inhomogeneity. This emergence of a non-Fermi liquid is concomitant of a quasiflat band. For finite doping the system with small inhomogeneity displays
d-wave superconductivity coexisting with incommensurate spin-density order, inferred from the presence of oscillatory DMFT solutions. The
d-wave superconductivity gets suppressed for moderate to large inhomogeneity for any finite doping while the incommensurate spin-density order still exists.
The Hubbard model has been widely used to describe magnetism due to itinerant electrons. However, except for the one-dimensional case, no exact solution of the model exists. We have studied the two-dimensional Hubbard model on a square lattice using a Monte Carlo simulation technique. Simulations were performed on lattices of up to 8×8 in spatial size. We will discuss results for thermodynamic properties and correlation functions as a function of temperature and interaction strength. For the half-filled band case, our results indicate that the system exhibits long-range antiferromagnetic order in the ground state for any nonzero interaction, although substantially reduced from the classical Néel state due to both charge and spin fluctuations. For the non-half-filled band case, our results suggest that no long-range magnetic order exists. We also don’t find any indication of short-ranged ferromagnetic correlations in the parameter range studied. We have also studied the predictions of various approximate treatments for this model, particularly the static approximation and the coherent potential approximation (CPA). By comparison with the Monte Carlo results, we discuss the validity of these schemes. Finally, we discuss the effect of changing the band structure on the magnetic properties of the system.
One promising way to enhance superconductivity is to have coexisting wide and incipient narrow bands, where the Fermi level intersecting the wide band lies just above the narrow band, by which finite-energy spin fluctuations act as glue to mediate pair scattering. As an extreme case of the narrow band dispersion, we investigate spin-fluctuation-mediated superconductivity in two-dimensional Hubbard models with an incipient flat band. For all of the systems investigated in this study, the Kagome, Lieb, and bilayer square lattices with a flat band, we find that spin-singlet pairing superconductivity is enhanced when the flat band is nearly fully filled, due to the interband pair scattering even when the flat band becomes dispersive by correlation effects. Among these models, enhancement of superconductivity is weak in the Lieb lattice, possibly because the density of states of the wide band goes to zero at the Dirac point where the flat and wide bands intersect. Also, when the electron density is smaller so that the flat band approaches half-filling, ferromagnetic spin fluctuations and spin-triplet pairing arises, which does not develop strongly compared to the case of the spin-singlet pairing for the incipient band situation.