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arXiv:1607.05655 · Nature Communications

Simulation of the NMR response in the pseudogap regime of the cuprates

Xi Chen, J. P. F. LeBlanc, Emanuel Gull

Published Apr 7, 2017• 34 citations
arXivHTMLPDF

Abstract

The pseudogap in the cuprate high-temperature superconductors was discovered as a suppression of the Knight shift and spin relaxation time measured in nuclear magnetic resonance (NMR) experiments. However, theoretical understanding of this suppression in terms of the magnetic susceptiblility of correlated itinerant fermion systems was so far lacking. Here we study the temperature and doping evolution of these quantities on the two-dimensional Hubbard model using cluster dynamical mean field theory. We recover the suppression of the Knight shift and the linear-in-T spin echo decay that increases with doping. The relaxation rate shows a marked increase as T is lowered but no indication of a pseudogap on the Cu site, and a clear downturn on the O site, consistent with experimental results on single layer materials but different from double layer materials. The consistency of these results with experiment suggests that the pseudogap is well described by strong short-range correlation effects.

DOI
10.1038/ncomms14986

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The pseudogap in the cuprate high-temperature superconductors was discovered as a suppression of the Knight shift and spin relaxation time measured in nuclear magnetic resonance (NMR) experiments. However, theoretical understanding of this suppression in terms of the magnetic susceptiblility of correlated itinerant fermion systems was so far lacking. Here we study the temperature and doping evolution of these quantities on the two-dimensional Hubbard model using cluster dynamical mean field theory. We recover the suppression of the Knight shift and the linear-in-T spin echo decay that increases with doping. The relaxation rate shows a marked increase as T is lowered but no indication of a pseudogap on the Cu site, and a clear downturn on the O site, consistent with experimental results on single layer materials but different from double layer materials. The consistency of these results with experiment suggests that the pseudogap is well described by strong short-range correlation effects.
Abstract We investigate the interplay between the pseudogap state and d-wave superconductivity in the two-dimensional doped Hubbard model by employing an eight-site cluster dynamical mean-field theory method. By tuning electron hopping parameters, the strong-coupling pseudogap in the two-dimensional Hubbard model can be either enhanced or suppressed in the doped Mott insulator regime. We find that in underdoped cases, the closing of pseudogap leads to a significant enhancement of superconductivity, indicating competition between the two in the underdoped regime. In contrast, at large dopings, suppressing the pseudogap is accompanied by a concurrent decrease in the superconducting transition temperature T c, which can be attributed to a reduction in antiferromagnetic correlations behind both the pseudogap and superconductivity. We elucidate this evolving relationship between pseudogap and superconductivity across different doping regimes.
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.
The transition between a metallic and a pseudogap phase in high-Tc{T}_{c}Tc​ cuprate superconductors, which is the subject of recent experimental investigations, is studied theoretically within the Hubbard model. We apply the cluster dynamical impurity approximation to the anisotropic Hubbard model on the square lattice at zero temperature and finite doping. This approach can detect a first-order transition between two metallic states: a pseudogap state at low doping with a depleted density of states at the Fermi level and a correlated metal at higher doping. This transition was seen first in the cluster dynamical mean-field theory at finite temperatures by Sordi et al. [Phys. Rev. Lett. 108, 216401 (2012)] on the isotropic Hubbard model. Here we investigate this transition at zero temperature and as a function of on-site interaction UUU, anisotropy ty/tx{t}_{y}/{t}_{x}ty​/tx​, and doping. We find a first-order transition line which ends at a critical point, which occurs around ${t}_{y}/{t}_{x}\ensuremath{\sim}0.5$.
We study the evolution of a Mott-Hubbard insulator into a correlated metal upon doping in the two-dimensional Hubbard model using the cellular dynamical mean-field theory. Short-range spin correlations create two additional bands apart from the familiar Hubbard bands in the spectral function. Even a tiny doping into this insulator causes a jump of the Fermi energy to one of these additional bands and an immediate momentum-dependent suppression of the spectral weight at this Fermi energy. The pseudogap is closely tied to the existence of these bands. This suggests a strong-coupling mechanism that arises from short-range spin correlations and large scattering rates for the pseudogap phenomenon seen in several cuprates.
We investigate dynamical mean-field calculations of the three-band Emery model at the one- and two-particle level for material-realistic parameters of high- T_c T c superconductors. Our study shows that even within dynamical mean-field theory, which accounts solely for temporal fluctuations, the intrinsic multi-orbital nature of the Emery model introduces effective non-local correlations. These correlations lead to a non-Curie-like temperature dependence of the magnetic susceptibility, consistent with nuclear magnetic resonance experiments in the pseudogap regime. By analyzing the temperature dependence of the uniform static spin susceptibility obtained by single-site and cluster dynamical mean-field theory, we find indications of emerging oxygen-copper singlet fluctuations, explicitly captured by the model. Despite correctly describing the hallmark of the pseudogap at the two-particle level, such as the drop in the Knight shift of nuclear magnetic resonance, dynamical mean-field theory fails to capture the spectral properties of the pseudogap.
The pseudogap phenomena observed on cuprate high temperature superconductors are investigated based on the exact diagonalization method on the finite cluster t-J model. The results show the presence of the gap-like behavior in the temperature dependence of various magnetic properties; the NMR relaxation rate, the neutron scattering intensity and the static susceptibility. The calculated spin correlation function indicates that the pseudogap behavior arises associated with the development of the antiferromagnetic spin correlation with decreasing the temperature. The numerical results are presented to clarify the model parameter dependence, that covers the realistic experimental situation. The effect of the next-nearest neighbor hopping t′t't′ is also studied.