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Physical Review B

Electron doping and superconductivity in the two-dimensional Hubbard model

David Eichenberger, D. Baeriswyl

Published Mar 31, 2009• 12 citations
Publisher

Abstract

An elaborate variational wave function is used for studying superconductivity in the (repulsive) two-dimensional Hubbard model, including both nearest- and next-nearest-neighbor hoppings. A marked asymmetry is found between the ``localized'' hole-doped region and the more itinerant electron-doped region. Superconductivity with $d$-wave symmetry turns out to be restricted to densities where the Fermi surface crosses the magnetic zone boundary. A concomitant peak in the magnetic structure factor at $(\ensuremath{\pi},\ensuremath{\pi})$ clearly points to a magnetic mechanism.

DOI
10.1103/physrevb.79.100510

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An elaborate variational wave function is used for studying superconductivity in the (repulsive) two-dimensional Hubbard model, including both nearest- and next-nearest-neighbor hoppings. A marked asymmetry is found between the ``localized'' hole-doped region and the more itinerant electron-doped region. Superconductivity with ddd-wave symmetry turns out to be restricted to densities where the Fermi surface crosses the magnetic zone boundary. A concomitant peak in the magnetic structure factor at (\ensuremathπ,\ensuremathπ)(\ensuremath{\pi},\ensuremath{\pi})(\ensuremathπ,\ensuremathπ) clearly points to a magnetic mechanism.
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be restricted to densities where the Fermi surface crosses the magnetic zone boundary. The condensate energy is much larger for hole doping than for electron doping. Superconductivity is kinetic energy driven for hole doping, but potential energy driven for electron doping. Our findings agree surprisingly well with experimental data for layered cuprates, both for electron- and hole-doped materials.
The Hubbard model is an iconic model in quantum many-body physics and has been intensely studied, especially since the discovery of high-temperature cuprate superconductors. Combining the complementary capabilities of two computational methods, we found superconductivity in both the electron- and hole-doped regimes of the two-dimensional Hubbard model with next-nearest-neighbor hopping. In the electron-doped regime, superconductivity was weaker and was accompanied by antiferromagnetic Néel correlations at low doping. The strong superconductivity on the hole-doped side coexisted with stripe order, which persisted into the overdoped region with weaker hole-density modulation. These stripe orders varied in fillings between 0.6 and 0.8. Our results suggest the applicability of the Hubbard model with next-nearest hopping for describing cuprate high–transition temperature ( T c ) superconductivity.
A systematic diagrammatic expansion for Gutzwiller-wave functions (DE-GWF) is formulated and used for the description of superconducting (SC) ground state in the two-dimensional Hubbard model with electron-transfer amplitudes ttt (and ${t}^{\ensuremath{'}}$) between nearest (and next-nearest) neighbors. The method is numerically very efficient and allows for a detailed analysis of the phase diagram as a function of all relevant parameters (UUU, $\ensuremath{\delta}$, ${t}^{\ensuremath{'}}$) and a determination of the kinetic-energy driven pairing region. SC states appear only for substantial interactions, $U/t\ensuremath{\gtrsim}3$, and for not too large hole doping, $\ensuremath{\delta}\ensuremath{\lesssim}0.32$ for ${t}^{\ensuremath{'}}=0.25t$; this upper critical doping value agrees well with experiment for the cuprate high-temperature superconductors. We also obtain other important features of the SC state: (i) the SC gap at the Fermi surface resembles ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave only around the optimal doping and the corrections to this state are shown to arise from the longer range of the pairing; (ii) the nodal Fermi velocity is almost constant as a function of doping and agrees quantitatively with the experimental results; (iii) the SC transition is driven by the kinetic-energy lowering for low doping and strong interactions.
Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one-particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (\ensuremath{\pi},0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. A self-consistent solution with singlet ${\mathit{d}}_{{\mathit{x}}^{2}\mathrm{\ensuremath{-}}{\mathit{y}}^{2}}$-wave pairing is found and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest-neighbor antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favoring superconductivity. However, the mechanism for superconductivity is a local one, in contrast to spin-fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature Tc{\mathit{T}}_{\mathit{c}}Tc​ is in the range 10--100 K. The optimum doping ${\mathrm{\ensuremath{\delta}}}_{\mathit{c}}$ lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and 2${\mathrm{\ensuremath{\Delta}}}_{\mathrm{max}}$/kTc{\mathit{kT}}_{\mathit{c}}kTc​\ensuremath{\simeq}4.
The possibility of superconductivity in the ground state of the two-dimensional Hubbard model was investigated by means of the variational Monte Carlo method. With slight hole doping on the 6 ×6 and 10 ×10 lattices, a clear minimum was obtained on the curve of the total energy versus the amplitude of the d -wave gap function for large on-site Coulomb energies. Superconducting pair correlations were observed to be well developed. The-next-nearest-neighbor transfer was found to appreciably affect the minimum depth.
We analyze solutions to a superconducting gap equation based on the two-dimensional Hubbard model with nearest and next-to-nearest neighbor hopping. The Cooper pair potential can be calculated exactly and expressed in terms of elliptic functions. The Fermi surfaces at finite temperature and chemical potential are calculated based on the exact two-body S-matrix of the Hubbard model using the formalism we recently developed, which allows variation of hole doping. The resulting solutions to the gap equation are strongly anisotropic, namely largest in the anti-nodal direction, and zero in the nodal directions of the Brillouin zone. For U/t = 13 and t' /t =-0.3, appropriate to BSCO, and a physically natural choice for the cut-off, our self-contained analytic calculations yield the gap in the anti-nodal direction Delta/t = 0.06 and a maximum Tc/t = 0.04 at hole doping h=0.15. For phenomenological fits to the Fermi surfaces for cuprates, we obtain the comparable value Tc/t = 0.03 at optimal doping, both in good agreement with experiments. The superconducting gap is non-zero for all hole-doping h < 0.35, and increases all the way down to zero doping, suggesting that it evolves into the pseudogap.