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arXiv:2003.12560 · Physical review. B./Physical review. B

Short-range charge fluctuations in the two-dimensional Hubbard model

Xinyang Dong, Emanuel Gull

Published May 11, 2020• 9 citations
arXivHTMLPDF

Abstract

We investigate charge fluctuations in the two-dimensional Hubbard model as a function of doping, interaction strength, next-nearest-neighbor hopping, and temperature within the eight-site dynamical cluster approximation. In the regime of intermediate interaction strengths, we find that $d$ density wave fluctuations, which had previously been postulated using analytical arguments, are present and strong but cannot be interpreted as the cause of the pseudogap in the model, due to their evolution with doping and interaction strength. For all parameters away from half filling, the charge fluctuations investigated, including $d$ density wave fluctuations, are weaker than $d$-wave superconducting fluctuations.

DOI
10.1103/physrevb.101.195115

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We investigate charge fluctuations in the two-dimensional Hubbard model as a function of doping, interaction strength, next-nearest-neighbor hopping, and temperature within the eight-site dynamical cluster approximation. In the regime of intermediate interaction strengths, we find that ddd density wave fluctuations, which had previously been postulated using analytical arguments, are present and strong but cannot be interpreted as the cause of the pseudogap in the model, due to their evolution with doping and interaction strength. For all parameters away from half filling, the charge fluctuations investigated, including ddd density wave fluctuations, are weaker than ddd-wave superconducting fluctuations.
We compute the two-particle quantities relevant for superconducting correlations in the two-dimensional Hubbard model within the dynamical cluster approximation. In the normal state we identify the parameter regime in density, interaction, and second-nearest-neighbor hopping strength that maximizes the d_{x^{2}-y^{2}} superconducting transition temperature. We find in all cases that the optimal transition temperature occurs at intermediate coupling strength, and is suppressed at strong and weak interaction strengths. Similarly, superconducting fluctuations are strongest at intermediate doping and suppressed towards large doping and half filling. We find a change in sign of the vertex contributions to d_{xy} superconductivity from repulsive near half filling to attractive at large doping. p-wave superconductivity is not found at the parameters we study, and s-wave contributions are always repulsive. For negative second-nearest-neighbor hopping the optimal transition temperature shifts towards the electron-doped side in opposition to the van Hove singularity, which moves towards hole doping. We surmise that an increase of the local interaction of the electron-doped compounds would increase T_{c}.
Abstract We investigate the interplay between the pseudogap state and d-wave superconductivity in the two-dimensional doped Hubbard model by employing an eight-site cluster dynamical mean-field theory method. By tuning electron hopping parameters, the strong-coupling pseudogap in the two-dimensional Hubbard model can be either enhanced or suppressed in the doped Mott insulator regime. We find that in underdoped cases, the closing of pseudogap leads to a significant enhancement of superconductivity, indicating competition between the two in the underdoped regime. In contrast, at large dopings, suppressing the pseudogap is accompanied by a concurrent decrease in the superconducting transition temperature T c, which can be attributed to a reduction in antiferromagnetic correlations behind both the pseudogap and superconductivity. We elucidate this evolving relationship between pseudogap and superconductivity across different doping regimes.
Motivated by the growing evidence of the importance of charge fluctuations in the pseudogap phase in high-temperature cuprate superconductors, we apply a large-NNN expansion formulated in a path integral representation of the two-dimensional ttt-JJJ model on a square lattice. We study all possible charge instabilities of the paramagnetic state in leading order of the 1/N1/N1/N expansion. While the ddd-wave charge density wave (flux phase) becomes the leading instability for various choices of model parameters, we find that a ddd-wave Pomeranchuk (electronic nematic phase) instability occurs as a next leading one. In particular, the nematic state has a strong tendency to become inhomogeneous. In the presence of a large second nearest-neighbor hopping integral, the flux phase is suppressed and the electronic nematic instability becomes leading in a high doping region. Besides these two major instabilities, bond-order phases occur as weaker instabilities close to half-filling. Phase separation is also detected in a finite temperature region near half-filling.
We study the extended Hubbard model away from half filling on a two-dimensional square lattice using cluster dynamical mean field theory on clusters of size 8. We show that the model exhibits metallic, compressible charge-ordered, and insulating charge-ordered phases. We determine the location of the charge-ordering phase transition line at finite temperature and the properties of the phases as a function of doping, temperature, local interaction, and nearest-neighbor interaction. An analysis of the energetics of the charge-order transition shows that the charge-ordering transition mainly results in a rearrangement of local and nonlocal potential energy. We show the doping evolution of the spectral function from the isotropic metal via a charge-ordered metal to a charge-ordered insulator with a big gap, and study finite-size effects of the approximation.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near 1/81/81/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about 1/51/51/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
The two-dimensional Hubbard model exhibits superconductivity with d-wave symmetry even at half-filling in the presence of a next-nearest neighbor hopping. Using plaquette cluster dynamical mean-field theory with a continuous-time quantum Monte Carlo impurity solver, we reveal the non-Fermi liquid character of the metallic phase in proximity to the superconducting state. Specifically, the low-frequency scattering rate for momenta near (π, 0) varies nonmonotonically at low temperatures, and the dc conductivity is T linear at elevated temperatures with an upturn upon cooling. Evidence is provided that pairing fluctuations dominate the normal-conducting state even considerably above the superconducting transition temperature.