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arXiv:cond-mat/0101121 · Physical Review Letters

Projected Wave Functions and High Temperature Superconductivity

Arun Paramekanti, Mohit Randeria, Nandini Trivedi

Published Nov 1, 2001• 241 citations
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Abstract

We study the Hubbard model with parameters relevant to cuprates using variational Monte Carlo for projected d-wave states. For doping 0<x approximately less than or equal to 0.35 we obtain a superconductor whose order parameter Phi(x) tracks the observed nonmonotonic T(c)(x). The variational parameter Delta(var)(x) scales with the (pi,0) "hump" and T* seen in photoemission. Projection leads to incoherence in the spectral function and from the singular behavior of its moments we obtain the nodal quasiparticle weight Z approximately x though the Fermi velocity remains finite as x-->0. The Drude weight D(low) and superfluid density are consistent with experiment and D(low) approximately Z.

DOI
10.1103/physrevlett.87.217002

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We study the Hubbard model with parameters relevant to cuprates using variational Monte Carlo for projected d-wave states. For doping 0<x approximately less than or equal to 0.35 we obtain a superconductor whose order parameter Phi(x) tracks the observed nonmonotonic T(c)(x). The variational parameter Delta(var)(x) scales with the (pi,0) "hump" and T* seen in photoemission. Projection leads to incoherence in the spectral function and from the singular behavior of its moments we obtain the nodal quasiparticle weight Z approximately x though the Fermi velocity remains finite as x-->0. The Drude weight D(low) and superfluid density are consistent with experiment and D(low) approximately Z.
We use a variational approach to gain insight into the strongly correlated ddd-wave superconducting state of the high Tc{T}_{c}Tc​ cuprates at T=0T=0T=0. We show that strong correlations lead to qualitatively different trends in pairing and phase coherence: the pairing scale decreases monotonically with hole doping while the superconducting order parameter shows a nonmonotonic dome. We obtain detailed results for the doping dependence of a large number of experimentally observable quantities, including the chemical potential, coherence length, momentum distribution, nodal quasiparticle weight and dispersion, incoherent features in photoemission spectra, optical spectral weight, and superfluid density. Most of our results are in remarkable quantitative agreement with existing data and some of our predictions, first reported in Phys. Rev. Lett. 87, 217002 (2001), have been recently verified.
We study the electronic structure of a strongly correlated d-wave superconducting state. Combining a renormalized mean field theory with direct calculation of matrix elements, we obtain explicit analytical results for the nodal Fermi velocity upsilon(F), the Fermi wave vector k(F), and the momentum distribution n(k) as a function of hole doping in a Gutzwiller projected d-wave superconductor. We calculate the energy dispersion E(k) and spectral weight of the Gutzwiller-Bogoliubov quasiparticles and find that the spectral weight associated with the quasiparticle excitation at the antinodal point shows a nonmonotonic behavior as a function of doping. Results are compared to angle resolved photoemission spectroscopy of the high-temperature superconductors.
We examine the strong correlation effects of the d-wave superconducting state by including the Gutzwiller projection for no electron double occupancy at each lattice site. The spectral weights (SW's) for adding and removing an electon on the projected superconducting state, the ground state of the 2-dimensional t-t'-t-J model with moderate doped holes describing the high Tc cuprates, are studied numerically on finite lattices and compared with the observation made by low-temperature tunneling (particle asymmetry of tunneling conductance) and angle-resolved photoemission (SW transfer from the projected Fermi liquid tate) spectoscopies. The contast with the dwave case without projection is alo presented.
With the use of Gutzwiller-projected variational states, we study the renormalization of the current carried by the quasiparticles in high-temperature superconductors and of the quasiparticle spectral weight. The renormalization coefficients are computed by the variational Monte Carlo technique, under the assumption that quasiparticle excitations may be described by Gutzwiller-projected BCS quasiparticles. We find that the current renormalization coefficient decreases with decreasing doping and tends to zero at zero doping. The quasiparticle spectral weight Z+{Z}_{+}Z+​ for adding an electron shows an interesting structure in k\mathbf{k}k space, which corresponds to a depression of the occupation number nk{n}_{\mathbf{k}}nk​ just outside the Fermi surface. The perturbative corrections to those quantities in the Hubbard model are also discussed.
We present in this article results of Quantum Monte Carlo simulations for the three-band Hubbard model obtained both with the grand canonical approach as well as with the T =0 formalism. A direct comparison of Quantum Monte Carlo results with experimental values for the charge-transfer gap leads to a set of parameters for the three-band Hubbard model that consistently describes salient features of the high- T c superconductors. We find long-range antiferromagnetic order in the undoped case as well as an incommensurate structure for a doping concentration of δ≈0.20. Moreover the magnetic susceptibility as a function of doping δ is in a qualitative agreement with experiments. Concerning dynamical properties, we have evaluated the spectral density [Formula: see text]. The dispersion of the state with the lowest excitation energy is in very good agreement with experimental photoemission and inverse photoemission experiments for a doping concentration of δ=0.25. In the superconducting regime, we find that the interaction vertex for the pairing correlation function in the extended s-channel shows a maximum for δ~0.20, resembling the dependence of T c on doping. This feature is not present for other symmetries of the order parameter or in other parameter regions.
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.