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arXiv:0808.0433

Superconductivity in the 2D Hubbard model: Electron doping is different

David Eichenberger, D. Baeriswyl

Published Aug 4, 2008• 1 citation
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Abstract

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.

DOI
10.48550/arxiv.0808.0433

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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.
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 $(\ensuremath{\pi},\ensuremath{\pi})$ clearly points to a magnetic mechanism.
Recent refinements of analytical and numerical methods have improved our understanding of the ground-state phase diagram of the two-dimensional (2D) Hubbard model. Here, we focus on variational approaches, but comparisons with both quantum cluster and Gaussian Monte Carlo methods are also made. Our own ansatz leads to an antiferromagnetic ground state at half filling with a slightly reduced staggered order parameter (as compared to simple mean-field theory). Away from half filling, we find d-wave superconductivity, but confined to densities where the Fermi surface passes through the antiferromagnetic zone boundary (if hopping between both nearest-neighbour and next-nearest-neighbour sites is considered). Our results agree surprisingly well with recent numerical studies using the quantum cluster method. An interesting trend is found by comparing gap parameters Δ (antiferromagnetic or superconducting) obtained with different variational wave functions. Δ varies by an order of magnitude and thus cannot be taken as a characteristic energy scale. In contrast, the order parameter is much less sensitive to the degree of sophistication of the variational schemes, at least at and near half filling.
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.
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.
In order to study the material dependence of the correlation between stripes and dx2-y2-wave superconductivity (SC) among cuprate superconductors, we have performed a variational Monte Carlo simulation on a two-dimensional Hubbard model with first-, second- and third-nearest-neighbor hopping terms (t, t’ and t”, respectively) by using the Gutzwiller-Jastrow-type wave function taking account of three-body correlations on a triangle, which is efficient for frustrated systems. The condensation energies of the vertical stripes and the homogeneous SC were computed as a function of t’/t with a fixed relation t”= –t’/2. We have found that, at the nearly optimal doping with moderately strong on-site Coulomb interaction, the state of maximum condensation energy switches from the vertical stripes to the homogeneous dSC as |t’/t| increases.
We have performed a variational Monte Carlo simulation on a two-dimensional Hubbard model with first- and second-neighbor hopping terms in order to study the coexistence state of a static stripe state and a modulated d-wave superconductivity in the underdoped cuprates. In addition to a Gutzwiller, a Jastrow and a doublon-holon correlation effects, the band-renormalization effect was considered in the trial wave function. The condensation energies of an 8-period stripe state was computed as a function of a Coulomb energy under the hole-density x=1/8. Our results reveal that the renormalization of higher hopping parameters due to the strong correlation effect enhances the one-dimensional hole motion on a quarter-filled band in the stripe state, and brings quasi-Fermi surface close to the magnetic zone boundary in the coexistence state.