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arXiv:2110.05620 · Physical review. B./Physical review. B

Charge, bond, and pair density wave orders in a strongly correlated system

Anurag Banerjee, C. Pépin, Amit Ghosal

Published Apr 6, 2022• 12 citations
arXivHTMLPDF

Abstract

The coexistence of multiple quasidegenerate orders is the hallmark of the strongly correlated materials. Experiments often reveal several spatially modulated orders in the underdoped cuprates. This has come to the forefront with the possible detection of the pair density wave states. However, microscopic calculations often struggle to stabilize such spatially modulating orders as the ground state in the strong correlation limit. This work uses the $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}J$ model with an additional nearest-neighbor repulsion to stabilize spatially oscillating charge, bond, and pairing orders in the underdoped regime. We employ the standard Gutzwiller approach while treating the inhomogeneity for the spatial orders using the self-consistent Hartree-Fock-Bogoliubov methodology. Our calculations reveal that unidirectional bond density states coexisting with charge and pairing modulations can have lower energy than the uniform superconducting state over an extensive doping range. These modulating states vanish monotonically as the modulation wave vector becomes shorter with increased dopings. The finite momentum orders give way to a vestigial nematic phase on increasing doping which only breaks the rotational symmetry of the system. The nematic order vanishes on further increasing doping, and only uniform superconductivity survives. The spatial features of the ground state at each doping reveal multiple wave vectors, which potentially drive the incommensuration of charge orders. Interestingly, the spatially modulating states are absent when the strong correlations criteria are relaxed, suggesting that the removal of double occupancy aids the stabilization of density wave orders.

DOI
10.1103/physrevb.105.134505

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The coexistence of multiple quasidegenerate orders is the hallmark of the strongly correlated materials. Experiments often reveal several spatially modulated orders in the underdoped cuprates. This has come to the forefront with the possible detection of the pair density wave states. However, microscopic calculations often struggle to stabilize such spatially modulating orders as the ground state in the strong correlation limit. This work uses the t\ensuremath−t\ensuremath′\ensuremath−Jt\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}Jt\ensuremath−t\ensuremath′\ensuremath−J model with an additional nearest-neighbor repulsion to stabilize spatially oscillating charge, bond, and pairing orders in the underdoped regime. We employ the standard Gutzwiller approach while treating the inhomogeneity for the spatial orders using the self-consistent Hartree-Fock-Bogoliubov methodology. Our calculations reveal that unidirectional bond density states coexisting with charge and pairing modulations can have lower energy than the uniform superconducting state over an extensive doping range. These modulating states vanish monotonically as the modulation wave vector becomes shorter with increased dopings. The finite momentum orders give way to a vestigial nematic phase on increasing doping which only breaks the rotational symmetry of the system. The nematic order vanishes on further increasing doping, and only uniform superconductivity survives. The spatial features of the ground state at each doping reveal multiple wave vectors, which potentially drive the incommensuration of charge orders. Interestingly, the spatially modulating states are absent when the strong correlations criteria are relaxed, suggesting that the removal of double occupancy aids the stabilization of density wave orders.
We investigate the charge density wave phase in the strongly correlated Hubbard model without any other broken symmetry phase. Starting from the atomic Hamiltonian with no hopping, we generate quasiparticle operators corresponding to holons and doublons in the strongly correlated limit of the repulsive Hubbard model. We develop a real-space composite operator formalism using the equation of motion technique to include the intersite hopping perturbatively. Our fully self-consistent calculation stabilizes multiple unidirectional translation symmetry broken states within the doping range $\ensuremath{\delta}=0.07\ensuremath{-}0.2$. The charge-ordered states become increasingly unfavorable with hole doping. The unidirectional density waves manifest as periodic modulations of half-filled Mott regions separated by hole-rich regions. Notably, density wave solutions with periods of 3--8 lattice spacing remain energetically higher than those with larger periods. Quenched disorder on the charge-ordered states induces the merging of the Mott regions and, consequently, forms short-ranged charge modulations. The density of states shows signatures of strongly correlated Mott regions, potentially relevant to the physics of underdoped cuprates.
It is now well established that superconducting cuprates support a charge-density-wave state in the so-called underdoped region of their phase diagram. We investigate the possibility of charge order in the square-lattice Hubbard model, both alone and in coexistence with ddd-wave superconductivity. The charge order has a period of 4 in one direction, is centered on bonds, and has a ddd form factor. We use the variational cluster approximation, an approach based on a rigorous variational principle that treats short-range correlations exactly, with two clusters of size $2\ifmmode\times\else\texttimes\fi{}6$ that together tile the infinite lattice and provide a nonbiased unit for a period-4 bond-density wave (BDW). We find that the BDW exists in a finite range of hole doping and increases in strength from U=5U=5U=5 to U=8U=8U=8. Its location and intensity depend strongly on the band dispersion. When probed simultaneously with ddd-wave superconductivity, the energy is sometimes lowered by the presence of both phases, depending on the interaction strength. Whenever they coexist, a pair-density wave (a modulation of superconducting pairing with the same period and form factor as the BDW) also exists.
Abstract Flat-band systems provide an ideal platform for studying strong electron correlations, in which multiple quasi-degenerate charge orders frequently coexist. Motivated by this context, we investigate the pair-density-wave (PDW) superconducting state in a quasi-one-dimensional Creutz lattice featuring two strictly flat bands. Using a renormalized mean-field approach for the strongly correlated t - J model, we obtain self-consistent solutions that demonstrate a PDW phase—characterized by finite-center-of-mass-momentum Cooper pairing—coexisting with charge density wave (CDW) and bond density wave (BDW) orders. Physically, this coexistence phenomenon originates from the perfect band nesting inherent to the flat-band system, which allows for changes in the particle momentum distributions without energy cost. Here, a pure PDW solution without CDW and BDW orders emerges in the underdoped regime when magnetic effects are neglected, while strong Hubbard correlations favor a pure CDW phase. We conclude that a robust PDW phase, accompanied by CDW and BDW orders, occupies the majority of the parameter space. Furthermore, both the PDW order parameter and its critical temperature scale linearly with the superexchange coupling strength—a hallmark of flat-band superconductivity. Overall, our results reveal that a PDW superconducting state can be realized on the Creutz lattice with strong correlations.
The square-lattice Hubbard and closely related t-J models are considered as basic paradigms for understanding strong correlation effects and unconventional superconductivity (SC). Recent large-scale density matrix renormalization group simulations on the extended t-J model have identified d-wave SC on the electron-doped side (with the next-nearest-neighbor hopping t_{2}>0) but a dominant charge density wave (CDW) order on the hole-doped side (t_{2}<0), which is inconsistent with the SC of hole-doped cuprate compounds. We re-examine the ground-state phase diagram of the extended t-J model by employing the state-of-the-art density matrix renormalization group calculations with much enhanced bond dimensions, allowing more accurate determination of the ground state. On six-leg cylinders, while different CDW phases are identified on the hole-doped side for the doping range δ=1/16-1/8, a SC phase emerges at a lower doping regime, with algebraically decaying pairing correlations and d-wave symmetry. On the wider eight-leg systems, the d-wave SC also emerges on the hole-doped side at the optimal 1/8 doping, demonstrating the winning of SC over CDW by increasing the system width. Our results not only suggest a new path to SC in general t-J model through weakening the competing charge orders, but also provide a unified understanding on the SC of both hole- and electron-doped cuprate superconductors.
We study the coexistence of pair- (PDW) and charge-density-wave (CDW) states within the single-band $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U$ and Hubbard models of ddd-wave superconductivity and discuss our results in the context of the experimental observations for the copper-based compounds. In order to take the correlation effects into account with proper precision, we use the approach based on the diagrammatic expansion of the Gutzwiller wave function (DE-GWF), which goes beyond the renormalized mean-field theory in a systematic manner. According to our analysis of the $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U$ model, the transition between the pure ddd-wave superconducting phase and the coexistent CDW+PDW phase takes place at $\ensuremath{\delta}\ensuremath{\approx}0.18$ (close to the optimal doping), with the modulated phase located in the underdoped regime. The situation is different for the case of the Hubbard model, where a narrow stability regime of a precursor nematic phase sets in preceding the formation of the modulated CDW+PDW state, with decreasing hole doping. The results conclude our comprehensive discussion of the standard phase diagram for high-TC{T}_{C}TC​ superconducting compounds within the DE-GWF variational approach in the single narrow-band case [see J. Spa\l{}ek et al., Phys. Rev. B 95, 024506 (2017); M. Zegrodnik and Spa\l{}ek, Phys. Rev. B 95, 024507 (2017); Phys. Rev. B 96, 054511 (2017); New J. Phys. 20, 063015 (2018)].
We study two charge-ordered states in a $t\ensuremath{-}J\ensuremath{-}U$ model with the method of renormalized mean-field theory. Compared with the $t\ensuremath{-}J$ model, which excludes the existence of one site occupied by two electrons, finite Coulomb interaction UUU will allow the appearance of doublons and produce more charge fluctuations. The charge density wave states accompanied by Cooper pair density modulations have similar features with the states found in the $t\ensuremath{-}J$ model. The difference is that the modulation of doublons exists, and it has the same wavelength and phase as holes. Charge-ordered states disappear at the $U/t\ensuremath{\le}9$ region when the system does not correspond to the strongly correlated resonating valence-bond state. This feature indicates that local Coulomb interactions are the origin of charge-ordered states observed in cuprates. In addition, we calculate the strength of superconducting coherence and the gap depth of the nodal pair-density-wave state based on the local density of states. These two quantities also vary with lattice sites periodically. The oscillations have same wave vector and phase as the modulation of holes. These results are consistent with recent experiments.