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arXiv:2211.07423 · Physical review. B./Physical review. B

Revisiting superconductivity in the extended one-band Hubbard model: Pairing via spin and charge fluctuations

Mercè Roig, Astrid Tranum Rømer, P. J. Hirschfeld, Brian M. Andersen

Published Dec 30, 2022• 16 citations
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Abstract

The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band, and interaction parameters. We map out the phase diagrams within a random-phase-approximation spin- and charge-fluctuation approach, and find that while ${B}_{1g}$ (${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$) and ${B}_{2g}$ (${d}_{xy}$) pairing dominates in the absence of repulsive longer-range Coulomb interactions ${V}_{\mathrm{NN}}$, the latter induces pairing in other symmetry channels, including, e.g., ${A}_{2g}$ ($g$-wave), nodal ${A}_{1g}$ (extended $s$-wave), or nodal ${E}_{u}$ ($p$-wave) spin-triplet superconductivity. At the lowest temperatures, transition boundaries in the phase diagrams between symmetry-distinct spin-singlet orders generate complex time-reversal symmetry broken superpositions. By contrast, we find that boundaries between singlet and triplet regions are characterized by first-order transitions. Finally, motivated by recent photoemission experiments, we have determined the influence of an additional explicitly attractive nearest-neighbor interaction, ${V}_{\mathrm{NN}}<0$, on the superconducting gap structure. Depending on the electronic filling, such an attraction boosts ${E}_{u}$ ($p$-wave) spin-triplet or ${B}_{1g}$ (${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$) spin-singlet ordering.

DOI
10.1103/physrevb.106.214530

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In quantum materials, the electronic interaction and the electron-phonon coupling are in general two essential ingredients, the combined impact of which may drive exotic phases. Recently, an anomalously strong electron-electron attraction, mediated by phonons, has been unveiled in one-dimensional (1D) copper-oxide chain compound. Yet it is unclear how this strong near-neighbor (NN) attraction VVV influences the superconductivity pairing. In this work, we employ the density-matrix renormalization group (DMRG) method to study this experiment-relevant extended Hubbard model with on-site Coulomb repulsion U>0U>0U>0 and NN attraction V<0V<0V<0, relevant for the 1D cuprate chain and likely other similar transition-metal materials. We find this extended ttt-UUU-VVV model hosts a rich quantum phase diagram consisting of the spin density wave phase, phase separation phases, the Tomonaga-Luttinger liquid (TLL) phase, and especially an intriguing TLL regime with divergent superconducting susceptibility and dominant spin-triplet pair correlations. Upon doping, such a spin-triplet pairing regime can be further broadened in the parameter space and extends to larger UUU. Our results show robust triplet pairing induced by attractive interaction VVV, offering a feasible mechanism to realize ppp-wave superconductivity in 1D cuprates.
Abstract In quantum materials, the electronic interaction and the electron-phonon coupling are, in general, two essential ingredients, the combined impact of which may drive exotic phases. Recently, an anomalously strong electron-electron attraction, likely mediated by phonons, has been proposed in one-dimensional copper-oxide chain Ba2−xSrxCuO3+δ. Yet, it is unclear how this strong near-neighbor attraction V influences the superconductivity pairing in the system. Here we perform accurate many-body calculations to study the extended Hubbard model with on-site Coulomb repulsion U > 0 and near-neighbor attraction V < 0 that could well describe the cuprate chain and likely other similar transition-metal materials with both strong correlations and lattice effects. We find a rich quantum phase diagram containing an intriguing Tomonaga-Luttinger liquid phase — besides the spin density wave and various phase separation phases — that can host dominant spin-triplet pairing correlations and divergent superconductive susceptibility. Upon doping, the spin-triplet superconducting regime can be further broadened, offering a feasible mechanism to realize p-wave superconductivity in realistic cuprate chains.
We study the spin-fluctuation-mediated superconducting pairing gap in a weak-coupling approach to the Hubbard model for a two-dimensional square lattice in the paramagnetic state. Performing a comprehensive theoretical study of the phase diagram as a function of filling, we find that the superconducting gap exhibits transitions from ppp-wave at very low electron fillings to ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave symmetry close to half filling in agreement with previous reports. At intermediate filling levels, different gap symmetries appear as a consequence of the changes in the Fermi surface topology and the associated structure of the spin susceptibility. In particular, the vicinity of a Van Hove singularity in the electronic structure close to the Fermi level has important consequences for the gap structure in favoring the otherwise subdominant triplet solution over the singlet ddd-wave solution. By solving the full gap equation, we find that the energetically favorable triplet solutions are chiral and break time-reversal symmetry. Finally, we also calculate the detailed angular gap structure of the quasiparticle spectrum, and show how spin-fluctuation-mediated pairing leads to significant deviations from the first harmonics both in the singlet ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ gap as well as the chiral triplet gap solution.
The search for superconductivity with unconventional pairing symmetry has been a central focus in the study of strongly correlated electron systems. In this work, we report a numerically exact study of the spin-triplet pairing in a two-dimensional Hubbard model with repulsive interactions, employing the determinant quantum Monte Carlo method. The model includes next-nearest-neighbor and third-nearest-neighbor hopping terms and maintains spin balance. By tuning the fermion filling close to a type-II Van Hove singularity (VHS) in the model, we numerically investigate the ordering tendencies of several possible pairing channels with different symmetries. Our numerical results provide clear evidence of the spin-triplet ppp-wave pairing instability approaching low temperatures, as revealed by the vertex contribution to the pairing susceptibility. This signature becomes increasingly pronounced as the interaction strength increases in the weak to intermediate regime. We further find that, near the type-II VHS, the dominant spin-spin correlations in the system are ferromagnetic, suggesting its close relation to the spin-triplet pairing instability. Our findings offer a reliable approach to realize spin-triplet ppp-wave superfluidity in the repulsive Hubbard model from an unbiased numerical perspective.
We study the square-lattice extended Hubbard model with on-site UUU and nearest-neighbor VVV interactions by exact diagonalization. We show that nonequilibrium quench dynamics can help determine the equilibrium phase transition boundaries, which agree with the calculations of the fidelity metric, dynamical structure factor, and correlation function. At half filling, the phase diagrams in the strong-coupling regime include spin density wave and ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconductivity at large positive UUU, charge density wave (extended s∗{s}^{*}s∗-wave superconductivity) at large positive (negative) VVV, and sss-wave superconductivity at large negative UUU with vanishing VVV. The energies of different particle sectors also help determine the phase separation region. With carrier doping, charge fluctuation results in a strong competition between different orders, making it more difficult to identify the leading instability on finite-size clusters. Nevertheless, the more exotic ppp-wave superconducting pairing is found to be enhanced when the system is heavily overdoped by 37.537.5%--50%37.5 holes, especially in the interaction parameter range relevant to the cuprate superconductors.
Several new classes of compounds can be modeled in first approximation by electrons on the triangular lattice that interact through on-site repulsion UUU as well as nearest-neighbor repulsion VVV. This extended Hubbard model on a triangular lattice has been studied mostly in the strong coupling limit for only a few types of instabilities. Using the extended two-particle self-consistent approach (ETPSC), that is valid at weak to intermediate coupling, we present an unbiased study of the density and interaction dependent crossover diagram for spin- and charge-density wave instabilities of the normal state at arbitrary wave vector. When UUU dominates over VVV and electron filling is large, instabilities are chiefly in the spin sector and are controlled mostly by Fermi surface properties. Increasing VVV eventually leads to charge instabilities. In the latter case, it is mostly the wave vector dependence of the vertex that determines the wave vector of the instability rather than Fermi surface properties. At small filling, nontrivial instabilities appear only beyond the weak coupling limit. There again, charge-density wave instabilities are favored over a wide range of dopings by large VVV at wave vectors corresponding to $\sqrt{(3)}\ifmmode\times\else\texttimes\fi{}\sqrt{(3)}$ superlattice in real space. Commensurate fillings do not play a special role for this instability. Increasing UUU leads to competition with ferromagnetism. At negative values of UUU or VVV, neglecting superconducting fluctuations, one finds that charge instabilities are favored. In general, the crossover diagram presents a rich variety of instabilities. We also show that thermal charge-density wave fluctuations in the renormalized-classical regime can open a pseudogap in the single-particle spectral weight, just as spin or superconducting fluctuations.