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arXiv:1903.07466 · Physical review. B./Physical review. B

Magnetization, d -wave superconductivity, and non-Fermi-liquid behavior in a crossover from dispersive to flat bands

Pramod Kumar, Tuomas I. Vanhala, Päivi Törmä

Published Sep 18, 2019• 16 citations
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Abstract

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.

DOI
10.1103/physrevb.100.125141

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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 ddd-wave superconductivity coexisting with incommensurate spin-density order, inferred from the presence of oscillatory DMFT solutions. The ddd-wave superconductivity gets suppressed for moderate to large inhomogeneity for any finite doping while the incommensurate spin-density order still exists.
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 UUU. 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 UUU, 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.
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.
We explore the magnetic properties of a two-dimensional Hubbard model on an inhomogeneous square lattice, which provides a platform for tuning the bandwidth of the flat band. In its limit, this inhomogeneous square lattice turns into a Lieb lattice, and it exhibits abundant properties due to the flat band structure at the Fermi level. By using the determinant quantum Monte Carlo simulation, we calculate the spin susceptibility, double occupancy, magnetization, spin structure factor, and effective pairing interaction of the system. It is found that the antiferromagnetic correlation is suppressed by the inhomogeneous strength and that the ferromagnetic correlation is enhanced. Both the antiferromagnetic correlation and ferromagnetic correlation are enhanced as the interaction increases. It is also found that the effective ddd-wave pairing interaction is suppressed by the increasing inhomogeneity. In addition, we also study the thermodynamic properties of the inhomogeneous square lattice, and the calculation of specific heat provides good support for our point. Our intensive numerical results provide a rich magnetic phase diagram over both the inhomogeneity and interaction.
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.
When a van Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a nonanalytic contribution. This invalidates basic assumptions of Fermi liquid theory and within treatments based on perturbation theory leads to a non-Fermi liquid self-energy and transport properties. Such anomalies are shown to also occur in the strongly correlated metallic state within dynamical mean-field theory. We consider the Hubbard model on a two-dimensional square lattice with nearest- and next-nearest-neighbor hoppings within the single-site dynamical mean-field theory. At temperatures on the order of the low-energy scale T0{T}_{0}T0​ an unusual maximum emerges in the imaginary part of the self-energy which is renormalized toward the Fermi level for finite doping. At zero temperature this double-well structure is suppressed but an anomalous energy dependence of the self-energy remains. For the frustrated Hubbard model on the square lattice with next-nearest-neighbor hopping, the presence of the van Hove singularity changes the asymptotic low-temperature behavior of the resistivity from a Fermi liquid to non-Fermi liquid dependency as function of doping. The results of this work are discussed regarding their relevance for high-temperature cuprate superconductors.
We use cellular dynamical mean-field theory with extended unit cells to study the ground state of the two-dimensional repulsive Hubbard model at finite doping. We calculate the energy of states where ddd-wave superconductivity coexists with spatially nonuniform magnetic and charge order and find that they are energetically favored in a large doping region as compared to the uniform solution. We also study the spatial form of the density and the superconducting and magnetic order parameters at different doping values.