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arXiv:2207.12275 · Physical review. B./Physical review. B

Superconductivity enhanced by pair fluctuations between wide and narrow bands

Changming Yue, Hideo Aoki, Philipp Werner

Published Nov 21, 2022• 11 citations
arXivHTMLPDF

Abstract

Full or empty narrow bands near the Fermi level are known to enhance superconductivity by promoting scattering processes and spin fluctuations. Here, we demonstrate that doublon-holon fluctuations in systems with half-filled narrow bands can similarly boost the superconducting ${T}_{c}$. We study the half-filled attractive bilayer Hubbard model on the square lattice using dynamical mean-field theory. The band structure of the noninteracting system contains a wide band formed by bonding orbitals and a narrow band formed by antibonding orbitals, with bandwidths tunable by the interlayer hopping. The shrinking of the narrow band can lead to a substantial increase in the superconducting order parameter and phase stiffness in the wide band. At the same time, the coupling to the wide band allows the narrow band to remain superconducting---and to reach the largest order parameter---in the flat band limit. We develop an anomalous worm sampling method to study superconductivity in the limit of vanishing effective hopping. By analyzing the histogram of the local eigenstates, we clarify how the interplay between different interaction terms in the bonding/antibonding basis promotes pair fluctuations and superconductivity.

DOI
10.1103/physrevb.106.l180506

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Full or empty narrow bands near the Fermi level are known to enhance superconductivity by promoting scattering processes and spin fluctuations. Here, we demonstrate that doublon-holon fluctuations in systems with half-filled narrow bands can similarly boost the superconducting Tc{T}_{c}Tc​. We study the half-filled attractive bilayer Hubbard model on the square lattice using dynamical mean-field theory. The band structure of the noninteracting system contains a wide band formed by bonding orbitals and a narrow band formed by antibonding orbitals, with bandwidths tunable by the interlayer hopping. The shrinking of the narrow band can lead to a substantial increase in the superconducting order parameter and phase stiffness in the wide band. At the same time, the coupling to the wide band allows the narrow band to remain superconducting---and to reach the largest order parameter---in the flat band limit. We develop an anomalous worm sampling method to study superconductivity in the limit of vanishing effective hopping. By analyzing the histogram of the local eigenstates, we clarify how the interplay between different interaction terms in the bonding/antibonding basis promotes pair fluctuations and superconductivity.
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.
The bilayer Hubbard model with an intralayer hopping ttt and an interlayer hopping ${t}_{\ensuremath{\perp}}$ provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of pair structures which arise when there are multiple Fermi surfaces. One can also examine the pairing for a system in which the structure of the spin-fluctuation spectral weight can be changed. Using a dynamic cluster quantum Monte Carlo approximation, we find that near half filling, if the splitting between the bonding and antibonding bands ${t}_{\ensuremath{\perp}}/t$ is small, the gap has B1g{B}_{1g}B1g​ (${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave) symmetry, but when the splitting becomes larger, A1g{A}_{1g}A1g​ (${s}^{\ifmmode\pm\else\textpm\fi{}}$-wave) pairing is favored. We also find that in the ${s}^{\ifmmode\pm\else\textpm\fi{}}$ pairing region, the pairing is driven by interlayer spin fluctuations and that Tc{T}_{c}Tc​ is enhanced.
We study within the fluctuation exchange approximation the trilayer Hubbard model where three layers of the Hubbard model are coupled by large interlayer hoppings so that the overlap of the bonding, nonbonding, and antibonding bands is relatively small. We pay special attention to the band fillings close to 1/3, for which the bonding and nonbonding bands as a whole are close to half filling. For relatively small values of the onsite UUU, superconductivity roughly exhibits electron-hole symmetric behavior, as expected for a nearly half-filled two-band system. By contrast, an asymmetry appears when UUU becomes large, where superconductivity is more favored in the hole-doped regime, i.e., in the regime where electrons are removed from 1/3 filling. We attribute this asymmetry to the asymmetric renormalization of the bonding, nonbonding, and antibonding bands when UUU is large.
Our previous mean-field study concerning superconducting pairings in the extended Hubbard model with on-site repulsive and intersite attractive interaction and arbitrary electron density is extended to include the effects of nearest-neighbor exchange (JJJ) and correlated hopping (KKK) interaction. Detailed numerical analysis of sss-, ppp-, and ddd-wave pairing solutions is performed for the two-dimensional square lattice with nearest- (ttt) and next-nearest- (t2{t}_{2}t2​) neighbor hopping, and the resulting mutual stability phase diagrams are given as a function of band filling and the interaction parameters. Antiferromagnetic exchange can enhance both the ddd-wave and the extended sss-wave pairing. If it prevails over the repulsive intersite density-density interaction, such a term can be a leading mechanism for superconductivity. However, its effects strongly depend on the band filling and the t2t\frac{{t}_{2}}{t}tt2​​ ratio, giving in particular for t2=0{t}_{2}=0t2​=0 sss-wave (ddd-wave) pairing as most favorable in the low (high) density limit, but increasing t2{t}_{2}t2​ can even reverse this tendency. The correlated hopping term which breaks the electron-hole symmetry affects sss-wave pairing mostly. A condensation transition (phase separation), possible in the presence of the attractive density-density interaction, is also analyzed within the random-phase approximation, and stability conditions of such an electron droplet phase with respect to other types of ordering are determined as a function of the band filling for the two-dimensional square lattice.
It has been proposed that the superconducting transition temperature Tc{T}_{\text{c}}Tc​ of an unconventional superconductor with a large pairing scale but strong phase fluctuations can be enhanced by coupling it to a metal. However, the general efficacy of this approach across different parameter regimes remains an open question. Using the dynamical cluster approximation, we study this question in a system composed of an attractive Hubbard layer in the intermediate coupling regime, where the magnitude of the attractive Coulomb interaction ∣U∣|U|∣U∣ is slightly larger than the bandwidth WWW, hybridized with a noninteracting metallic layer. We find that while the superconducting transition becomes more mean-field-like with increasing interlayer hopping, the superconducting transition temperature Tc{T}_{\text{c}}Tc​ exhibits a nonmonotonic dependence on the strength of the hybridization ${t}_{\ensuremath{\perp}}$. This behavior arises from a reduction of the effective pairing interaction in the correlated layer that outcompetes the growth in the intrinsic pair-field susceptibility induced by the coupling to the metallic layer. We find that the largest Tc{T}_{\text{c}}Tc​ inferred here for the composite system is comparable to the maximum value currently estimated for the isolated negative-UUU Hubbard model.
The bilayer Hubbard model with an intra-layer hopping ttt and an inter-layer hopping t⊥t_\perpt⊥​ provides an interesting testing ground for several aspects of what has been called unconventional superconductivity. One can study the type of pair structures which arise when there are multiple Fermi surfaces. One can also examine the pairing for a system in which the structure of the spin-fluctuation spectral weight can be changed. Using a dynamic cluster quantum Monte Carlo approximation, we find that near half-filling, if the splitting between the bonding and anti-bonding bands t⊥/tt_\perp/tt⊥​/t is small, the gap has B1gB_{1g}B1g​ (dx2−y2d_{x^2-y^2}dx2−y2​-wave) symmetry but when the splitting becomes larger, A1gA_{1g}A1g​ (s±s^\pms±-wave) pairing is favored. We also find that in the s±s^\pms± pairing region, the pairing is driven by inter-layer spin fluctuations and that TcT_cTc​ is enhanced.