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arXiv:cond-mat/0312499 · Physical Review Letters

Pseudogap and Spin Fluctuations in the Normal State of the Electron-Doped Cuprates

Bumsoo Kyung, V. Hankevych, A.-M. Daré, A.–M. S. Tremblay

Published Sep 29, 2004• 124 citations
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Abstract

We present reliable many-body calculations for the $t\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}{t}^{\ensuremath{'}\ensuremath{'}}\mathrm{\text{\ensuremath{-}}}U$ Hubbard model that explain in detail the results of recent angle-resolved photoemission experiments on electron-doped high-temperature superconductors. The origin of the pseudogap is traced to two-dimensional antiferromagnetic spin fluctuations whose calculated temperature-dependent correlation length also agrees with recent neutron scattering measurements. We make specific predictions for photoemission, for neutron scattering, and for the phase diagram.

DOI
10.1103/physrevlett.93.147004

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This is a short review of the theoretical work on the two-dimensional Hubbard model performed in Sherbrooke in the last few years. It is written on the occasion of the twentieth anniversary of the discovery of high-temperature superconductivity. We discuss several approaches, how they were benchmarked and how they agree sufficiently with each other that we can trust that the results are accurate solutions of the Hubbard model. Then comparisons are made with experiment. We show that the Hubbard model does exhibit d-wave superconductivity and antiferromagnetism essentially where they are observed for both hole- and electron-doped cuprates. We also show that the pseudogap phenomenon comes out of these calculations. In the case of electron-doped high temperature superconductors, comparisons with angle-resolved photoemission experiments are nearly quantitative. The value of the pseudogap temperature observed for these compounds in recent photoemission experiments had been predicted by theory before it was observed experimentally. Additional experimental confirmation would be useful. The theoretical methods that are surveyed include mostly the two-particle self-consistent approach, variational cluster perturbation theory (or variational cluster approximation), and cellular dynamical mean-field theory.
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more coherent quasiparticles and stronger antiferromagnetic correlations compared to hole doping. At low doping, a nodal-antinodal dichotomy on the Fermi surface is observed, similar to cuprate experiments. The dichotomy reflects the momentum dependence of the Mott gap, as manifested in both the spectral function and the self-energy. For hole doping, we observe a transition towards the pseudogap, without signature of pocket formation. The simulated nuclear magnetic resonance pseudogap temperatures do not necessarily agree with the temperature determined by spectroscopy. These findings collectively suggest the pseudogap is a smooth crossover driven by strong correlations.
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Recent experiments (angle-resolved photoemission spectroscopy and Raman) suggest the presence of two distinct energy gaps in high-temperature superconductors (HTSC), exhibiting different doping dependences. The results of a variational cluster approach to the superconducting state of the two-dimensional Hubbard model are presented which show that this model qualitatively describes this gap dichotomy. The antinodal gap increases with less doping, a behavior long considered as reflecting the general gap behavior of the HTSC. On the other hand, the near-nodal gap does even slightly decrease with underdoping. An explanation of this unexpected behavior is given which emphasizes the crucial role of spin fluctuations in the pairing mechanism.
Long-wavelength spin fluctuations prohibit antiferromagnetic long-range order at finite temperature in two dimensions. Nevertheless, the correlation length starts to grow rapidly at a crossover temperature, leading to critical slowing down and to a renormalized-classical regime over a wide range of temperature, between a fraction of the mean-field transition temperature and the zero-temperature ordered state. This leads to a single-particle pseudogap of the kind observed in electron-doped cuprates. Very few theoretical methods can claim an accurate description of this regime. The challenge is that in this regime Fermi-liquid quasiparticles are already destroyed and new quasiparticles of the ordered state are not fully formed yet. Here, we study this problem for the two-dimensional Hubbard model by first generalizing the two-particle self-consistent approach. Using a special algorithm, spin fluctuations are treated in the thermodynamic limit even for large correlation lengths. The effects of Kanamori-Br\"uckner screening, of classical and of quantum fluctuations are taken into account. Results are presented at half filling for the one-band Hubbard model with nearest-neighbor hopping. They agree well with available benchmark diagrammatic quantum Monte Carlo at high temperature where the pseudogap opens up. In addition to temperature-dependent spectral properties, we find quantum corrections to the zero-temperature renormalized mean-field antiferromagnetic gap. Finally, analytic continuation of the Matsubara results for spectral functions show that the pseudogap opens up at significantly higher temperature than was previously identified based on the Matsubara data only.
Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors leading to an unprecedented high transition temperature Tc{T}_{c}Tc​ is still lacking. An additional puzzle is the unknown connection between the superconducting gap and the so-called pseudogap which is a central property of the most unusual normal state. Angle-resolved photoemission spectroscopy (ARPES) measurements have revealed a gaplike behavior on parts of the Fermi surface, leaving a nongapped segment known as Fermi arc around the diagonal of the Brillouin zone. Two main interpretations of the origin of the pseudogap have been proposed: either the pseudogap is a precursor to superconductivity, or it arises from another order competing with superconductivity. Starting from the t-J model, in this paper we present a microscopic approach to investigate physical properties of the pseudogap phase as well as the superconducting phase in the framework of a renormalization scheme called projector-based renormalization method. This approach is based on a stepwise elimination of high-energy transitions using unitary transformations. We arrive at renormalized ``free'' Hamiltonians for correlated electrons for both phases. Our microscopic approach allows us to explain the experimental findings in the underdoped as well as in the optimal hole doping regime. The ARPES spectral function along the Fermi surface turns out to be in good agreement with experiment: For the pseudogap phase we find well-defined excitation peaks around $\ensuremath{\omega}=0$ near the nodal direction, which become strongly suppressed around the antinodal point. The origin of the pseudogap can be traced back to a suppression of spectral weight from incoherent excitations in a small $\ensuremath{\omega}$ range around the Fermi energy. In the superconducting phase, the order parameter turns out to have ddd-wave symmetry with a coherence length of a few lattice constants. In good agreement with experiments, we find no superconducting solutions for very small hole doping.