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arXiv:1212.4503 · Physical Review B

Resilience of d -wave superconductivity to nearest-neighbor repulsion

David Sénéchal, Alexandre G. R. Day, V. Bouliane, A.–M. S. Tremblay

Published Feb 19, 2013• 58 citations
arXivHTMLPDF

Abstract

Many theoretical approaches find $d$-wave superconductivity in the prototypical one-band Hubbard model for high-temperature superconductors. At strong coupling ($U\ensuremath{\ge}W$, where $U$ is the on-site repulsion and $W=8t$ the bandwidth) pairing is controlled by the exchange energy $J=4{t}^{2}/U$. One may then surmise, ignoring retardation effects, that near-neighbor Coulomb repulsion $V$ will destroy superconductivity when it becomes larger than $J$, a condition that is easily satisfied in cuprates, for example. Using cellular dynamical mean-field theory with an exact diagonalization solver for the extended Hubbard model, we show that pairing at strong coupling is preserved, even when $V\ensuremath{\gg}J$, as long as $V\ensuremath{\lesssim}U/2$. While at weak coupling $V$ always reduces the spin fluctuations and hence $d$-wave pairing, at strong coupling, in the underdoped regime, the increase of $J=4{t}^{2}/(U\ensuremath{-}V)$ caused by $V$ increases binding at low frequency while the pair-breaking effect of $V$ is pushed to high frequency. These two effects compensate in the underdoped regime, in the presence of a pseudogap. While the pseudogap competes with superconductivity, the proximity to the Mott transition that leads to the pseudogap, and retardation effects, protect $d$-wave superconductivity from $V$.

DOI
10.1103/physrevb.87.075123

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Many theoretical approaches find ddd-wave superconductivity in the prototypical one-band Hubbard model for high-temperature superconductors. At strong coupling (U\ensuremath≥WU\ensuremath{\ge}WU\ensuremath≥W, where UUU is the on-site repulsion and W=8tW=8tW=8t the bandwidth) pairing is controlled by the exchange energy J=4t2/UJ=4{t}^{2}/UJ=4t2/U. One may then surmise, ignoring retardation effects, that near-neighbor Coulomb repulsion VVV will destroy superconductivity when it becomes larger than JJJ, a condition that is easily satisfied in cuprates, for example. Using cellular dynamical mean-field theory with an exact diagonalization solver for the extended Hubbard model, we show that pairing at strong coupling is preserved, even when V\ensuremath≫JV\ensuremath{\gg}JV\ensuremath≫J, as long as V\ensuremath≲U/2V\ensuremath{\lesssim}U/2V\ensuremath≲U/2. While at weak coupling VVV always reduces the spin fluctuations and hence ddd-wave pairing, at strong coupling, in the underdoped regime, the increase of J=4t2/(U\ensuremath−V)J=4{t}^{2}/(U\ensuremath{-}V)J=4t2/(U\ensuremath−V) caused by VVV increases binding at low frequency while the pair-breaking effect of VVV is pushed to high frequency. These two effects compensate in the underdoped regime, in the presence of a pseudogap. While the pseudogap competes with superconductivity, the proximity to the Mott transition that leads to the pseudogap, and retardation effects, protect ddd-wave superconductivity from VVV.
The nearest-neighbor superexchange-mediated mechanism for ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ superconductivity in the one-band Hubbard model faces the challenge that nearest-neighbor Coulomb repulsion can be larger than superexchange. To answer this question, we use cellular dynamical mean-field theory (CDMFT) with a continuous-time quantum Monte Carlo solver to determine the superconducting phase diagram as a function of temperature and doping for on-site repulsion U=9tU=9tU=9t and nearest-neighbor repulsion V=0,2t,4tV=0,2t,4tV=0,2t,4t. In the underdoped regime, VVV increases the CDMFT superconducting transition temperature Tcd{T}_{c}^{d}Tcd​ even though it decreases the superconducting order parameter at low temperature for all dopings. However, in the overdoped regime VVV decreases Tcd{T}_{c}^{d}Tcd​. We gain insight into these paradoxical results through a detailed study of the frequency dependence of the anomalous spectral function, extracted at finite temperature via the MaxEntAux method for analytic continuation. A systematic study of dynamical positive and negative contributions to pairing reveals that even though VVV has a high-frequency depairing contribution, it also has a low frequency pairing contribution since it can reinforce superexchange through $J=4{t}^{2}/(U\ensuremath{-}V)$. Retardation is thus crucial to understanding pairing in doped Mott insulators, as suggested by previous zero-temperature studies. We also comment on the tendency to charge order for large VVV and on the persistence of ddd-wave superconductivity over extended-sss or s+ds+ds+d wave.
Dynamic cluster quantum Monte Carlo calculations for a doped two-dimensional extended Hubbard model are used to study the stability and dynamics of ddd-wave pairing when a nearest-neighbor Coulomb repulsion VVV is present in addition to the on-site Coulomb repulsion UUU. We find that ddd-wave pairing and the superconducting transition temperature Tc{T}_{c}Tc​ are only weakly suppressed as long as VVV does not exceed U/2U/2U/2. This stability is traced to the strongly retarded nature of pairing that allows the ddd-wave pairs to minimize the repulsive effect of VVV. When VVV approaches U/2U/2U/2, large momentum charge fluctuations are found to become important and to give rise to a more rapid suppression of ddd-wave pairing and Tc{T}_{c}Tc​ than for smaller VVV.
Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range ddd-wave pair field term, which precipitates a superconducting state in the ddd-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the ddd-wave pair/spin/charge-density matrices. The calculations show a ddd-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion UUU and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. We also demonstrate that negative ${t}^{\ensuremath{'}}$ plays an important role in facilitating ddd-wave superconductivity.
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.
An intricate interplay between superconductivity, pseudogap, and Mott transition, either bandwidth driven or doping driven, occurs in materials. Layered organic conductors and cuprates offer two prime examples. We provide a unified perspective of this interplay in the two-dimensional Hubbard model within cellular dynamical mean-field theory on a 2×2 plaquette and using the continuous-time quantum Monte Carlo method as impurity solver. Both at half filling and at finite doping, the metallic normal state close to the Mott insulator is unstable to d-wave superconductivity. Superconductivity can destroy the first-order transition that separates the pseudogap phase from the overdoped metal, yet that normal state transition leaves its marks on the dynamic properties of the superconducting phase. For example, as a function of doping one finds a rapid change in the particle-hole asymmetry of the superconducting density of states. In the doped Mott insulator, the dynamical mean-field superconducting transition temperature T(c)(d) does not scale with the order parameter when there is a normal-state pseudogap. T(c)(d) corresponds to the local pair formation temperature observed in tunneling experiments and is distinct from the pseudogap temperature.
I study the effect of Coulomb interaction on superconducting order in a ddd-wave lattice superconductor at T=0T=0T=0 by considering the superconducting saddle point in the two-dimensional $t\text{\ensuremath{-}}J\text{\ensuremath{-}}U$ model with a repulsion UUU. The theory of low-energy superconducting phase fluctuations around this saddle point is derived in terms of the effective hard-core bosons (representing the density of spin-up electrons and the phase of the order parameter), interacting with the fluctuating density of spin-down electrons. Whereas the saddle-point value of the superconducting gap is found to continuously increase towards half filling, the phase stiffness at T=0T=0T=0 has a maximum, and then decreases with further underdoping. Right at half filling the phase stiffness vanishes for large UUU. This argues that the pseudogap phenomenon of the type observed in cuprates is in principle possible without a development of any competing order, purely as a result of growing correlations in the superconducting state. Implications for the finite temperature superconducting transition and the effects of static disorder are discussed qualitatively.