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arXiv:cond-mat/0504246 · Journal of the Physical Society of Japan

Nonmonotonic dx2-y2-Wave Superconductivity in Electron-Doped Cuprates Viewed from the Strong-Coupling Side

Tsutomu Watanabe, Takafumi Miyata, Hisatoshi Yokoyama, Yukio Tanaka, Jun-ichiro Inoue

Published Jul 1, 2005• 7 citations
arXivHTMLPDF

Abstract

Applying a variational Monte Carlo method to a two-dimensional t-J model, we study the nonmonotonic d_{x^2-y^2}-wave superconductivity, observed by Raman scattering and ARPES experiments in the electron-doped cuprates. As a gap function in the trial state, we extend the d-wave form (ext.d) so as to have its maxima located near the hot spots of the system. It is found that, in contrast to the hole-doped case, the ext.d wave is always more stable than the simple d wave in the electron-doped case, and the magnetic correlation of the wave vector (π,π) as well as the pair correlation is enhanced. These results corroborate spin-correlation-mediated superconductivity in cuprates, recently argued from a FLEX calculation. In addition, we confirm that s- and p-wave symmetries are never stabilized even in the over-doped regime.

DOI
10.1143/jpsj.74.1942

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Applying a variational Monte Carlo method to a two-dimensional t-J model, we study the nonmonotonic d_{x^2-y^2}-wave superconductivity, observed by Raman scattering and ARPES experiments in the electron-doped cuprates. As a gap function in the trial state, we extend the d-wave form (ext.d) so as to have its maxima located near the hot spots of the system. It is found that, in contrast to the hole-doped case, the ext.d wave is always more stable than the simple d wave in the electron-doped case, and the magnetic correlation of the wave vector (π,π) as well as the pair correlation is enhanced. These results corroborate spin-correlation-mediated superconductivity in cuprates, recently argued from a FLEX calculation. In addition, we confirm that s- and p-wave symmetries are never stabilized even in the over-doped regime.
With high-Tc cuprates in mind, properties of correlated dx2-y2-wave superconducting (SC) and antiferromagnetic (AF) states are studied for the Hubbard (t-t'-U) model on square lattices, using a variational Monte Carlo method. We employ simple trial wave functions including only crucial parameters, such as a doublon-holon binding factor indispensable to describe correlated SC and normal states as doped Mott insulators. U/t, t'/t and δ(doping rate) dependence of relevant quantities are systematically calculated. As U/t increases, a sharp crossover of SC properties occurs at U_co/t \sim 10 from a conventional BCS type to a kinetic-energy-driven type for any t'/t. As δdecreases, U_co/t is smoothly connected to the Mott transition point at half filling. For U/t\lsim 5, steady superconductivity corresponding to the cuprates is not found, whereas the d-wave SC correlation function Pd^\infty rapidly increases for U/t\gsim 6 and becomes maximum at U=U_co. Comparing the δdependence of Pd^\infty with experimentally observed dome-shaped Tc and condensation energy, we find that the effective value of UUU for the cuprates should be larger than the band width, for which the t-J model is valid. Analyzing the kinetic energy, we reveal that for U>U_co only doped holes (electrons) become charge carriers, which will make a small Fermi surface (hole pocket), but for UU_co is determined by two factors, i.e., the AF spin correlation, which creates singlet pairs (pseudogap), and the charge mobility dominated by Mott physics.
In this paper, the effect of the next-earest (t ′ ) and third-earest (t ′ ′ ) hopping terms on superconductivity (SC) of the two-dimensional (2D) extended t-J model is studied by the variational Monte-Carlo (VMC) method. For hole-doped systems, the d-wave pairing correlation is suppressed by t ′ and t ′ ′ for underdoped cases, while it can be greatly enhanced by proper values of t ′ and t ′ ′ for the overdoped ones. This behavior results from the deformation of the Fermi surfaces. PACS numbers: 74.20.-z, 71.18.+y The 2D t-J model is one of the most popular models for studying the properties of the high-temperature superconductivity (HTS) [1, 2]. Yet the problem whether this model can give such high Tc for the cuprates or not is still under debate [4–7]. It has been well accepted that the next-nearest-neighbor (t ′ ) and the third-nearest-neighbor (t ′ ′) hopping terms are necessary for models to explain several experiments like angle-resolved photoemission (ARPES) of HTS [3]. However, the effect of t ′ and t ′ ′ on pairing correlation is also controversial. Previous DMRG studies of the two-dimensional (2D) extended t-J model show that the SC is suppressed (enhanced) for negative (positive) next-nearestneighbor hopping t ′ /t [8]. But results from first-principle calculation show that t ′ /t = −0.3 maximizes SC at optimal doping [9]. The Hamiltonian of the extended t-J model is H = Ht + HJ = − ∑ ij tij(˜c † i,σ ˜cj,σ + H.C.) + J ∑
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.
Using the variational Monte Carlo method, we find that a relatively weak long-range electron-phonon interaction induces a ddd-wave superconducting state in doped Mott-Hubbard insulators and/or strongly correlated metals with a condensation energy significantly larger than can be obtained with Coulomb repulsion only. Moreover, the superconductivity is shown to exist for infinite on-site Coulomb repulsion without the need for additional mechanisms such as spin fluctuations to mediate ddd-wave superconductivity. We argue that our superconducting state is robust with respect to a more intricate choice of the trial-wave function and that a possible origin of high-temperature superconductivity lies in a proper combination of strong electron-electron correlations with poorly screened Fr\"ohlich electron-phonon interaction.
The two-dimensional (2D) Hubbard model is widely believed to contain the key ingredients of high-temperature superconductivity in cuprate materials. Here, we report a constrained path quantum Monte Carlo (CPQMC) study of the square-lattice extended Hubbard model with on-site Coulomb repulsion U and nearest-neighbor (NN) electron attraction V. Upon doping δδδ= 0.125, we find that the NN electron attraction V can notably drive an exotic spin-triplet (p-wave) superconducting (SC) phase, and enhance the p-wave SC correlations with the increase of V. But in the intermediate coupling regime, the dx2−y2d_{x^2-y^2}dx2−y2​-wave (d-wave) does not significantly increase with the increase of V, indicating that the d-wave is not affected by V in strongly correlated system. Besides the pairing phase, a spin density wave (SDW) only exists near the half-filling in the particle-hole channel, and doping disrupts the formation of SDW order. Especially, the NN electron attraction V has no significant effect on SDW, reflecting the consistent relationship between d-wave SC and spin correlation. Moreover, as doping increases, the dominant region of p-wave also expands, further suppressing the presence of d-wave, which may help explain the disappearance of d-wave SC in overdoped cuprate superconductors. We also find the d-wave exhibits a singular nonzero (near point (2π/3,π2π/3, π2π/3,π)) condensation structure in momentum space, resulting in a different staggered behavior in the x and y direction with distance in real space. On the contrary, the p-wave condensed at zero momentum, and the p-wave correlation exhibits exponential decay in real space. Our work suggests the p-wave SC region can be induced and further broadened by the NN electron attraction V, offering a feasible mechanism to realize p-wave superconductivity in realistic cuprate materials.
With the high-Tc cuprates in mind, properties of correlated d-wave superconducting (SC) states are studied for a Hubbard model on square lattices with a diagonal transfer (t-t’-U model), using a variational Monte Carlo method. We employ a simple wave function, which includes crucial parameters, in particular, a doublon-holon (D-H) binding factor important for correlated SC and normal states as doped Mott insulators. We first check that the range of dominant superconductivity is limited to a strongly correlated regime (U>W, U: onsite correlation strength, W: band width), and coincides with the effective range of the D-H binding factors. In this range of U/t and δ (doping rate), holons (in hole-doped cases) are classified into two types: doped holons and ones created as D-H pairs. Only the former holons participate in current, whereas the latter contribute to singlet-pair formation. Next, we show that the SC properties undergo a crossover at U=Uco∼W. For U<Uco, the behavior is appropriately interpreted with the conventional BCS mechanism, whereas for U>Uco (the regime of cuprates), a new idea is needed to understand the peculiar SC behavior.