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arXiv:2302.08356 · Physical review. B./Physical review. B

Doping asymmetry in the three-band Hamiltonian for cuprate ladders: Failure of the standard model of superconductivity in cuprates

Jeong-Pil Song, S. Mazumdar, Rudolf Torsten Clay

Published Jun 27, 2023• 5 citations
arXivHTMLPDF

Abstract

The relevance of the single-band two-dimensional Hubbard model to superconductivity in the doped cuprates has recently been questioned, based on density matrix renormalization group (DMRG) computations that found superconductivity over an unrealistically broad doping region upon electron-doping, yet a complete absence of superconductivity for hole-doping. We report very similar results from DMRG calculations on a ${\mathrm{Cu}}_{2}{\mathrm{O}}_{3}$ two-leg ladder within the parent three-band correlated-electron Hamiltonian. The strong asymmetry found in our calculations are in contradiction to the deep and profound symmetry in the experimental phase diagrams of electron- and hole-doped cuprate superconductors, as seen from the occurrence of quantum critical points within the superconducting domes in both cases that are characterized by Fermi surface reconstruction, large jumps in carrier density, and strange metal behavior.

DOI
10.1103/physrevb.107.l241108

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The relevance of the single-band two-dimensional Hubbard model to superconductivity in the doped cuprates has recently been questioned, based on density matrix renormalization group (DMRG) computations that found superconductivity over an unrealistically broad doping region upon electron-doping, yet a complete absence of superconductivity for hole-doping. We report very similar results from DMRG calculations on a Cu2O3{\mathrm{Cu}}_{2}{\mathrm{O}}_{3}Cu2​O3​ two-leg ladder within the parent three-band correlated-electron Hamiltonian. The strong asymmetry found in our calculations are in contradiction to the deep and profound symmetry in the experimental phase diagrams of electron- and hole-doped cuprate superconductors, as seen from the occurrence of quantum critical points within the superconducting domes in both cases that are characterized by Fermi surface reconstruction, large jumps in carrier density, and strange metal behavior.
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Correlated-electron theories of superconductivity in layered cuprates often start from the premise of a gapped spin-liquid phase proximate to the superconducting state. This assumption is justified based on analytical and numerical demonstrations of a superconducting Luther-Emery phase in the doped 2-leg one-band Hubbard ladder, and the perceived analogy between coupled ladders and the two-dimensional CuO2{\mathrm{CuO}}_{2}CuO2​ layer. We demonstrate from accurate density matrix renormalization group studies the absence of the superconducting Luther-Emery phase in the doped 2-leg three-band ladder consisting of both copper and oxygen, even as the spin gap is large in the undoped three-band ladder. For realistic oxygen-oxygen hopping and Hubbard repulsion on the oxygen atoms, density-density rather than pairing correlations are dominant at long range. This result is equally valid whether or not the oxygens outside the ladder proper, over and above the rung and leg oxygens, are included in the computation. These results demonstrate the critical importance of oxygen orbitals, and raise disturbing questions about the applicability of many of the existing correlated-electron theories of superconductivity.
Correlated-electron theories of superconductivity in cuprates often start from the premise of a gapped spin-liquid phase proximate to the superconducting state. This assumption is based on, (i) demonstrations of a Luther-Emery phase with dominant superconducting correlations in the doped 2-leg one-band Hubbard ladder, and (ii) the perceived analogy between coupled ladders and the square lattice. We demonstrate from accurate density matrix renormalization group calculations the absence of the Luther-Emery phase in the doped 2-leg three-band ladder consisting of both copper and oxygen. For realistic oxygen-oxygen hopping and Hubbard repulsion on the oxygen atoms, the decay of the superconducting pair correlation with distance is almost indistinguishable from that of free fermions. Our results caste severe doubts on many of the existing correlated-electron theories of superconductivity.
We study current-current correlations in the three-band Hubbard model for two-leg CuO ladders using the density-matrix renormalization group method. We find that these correlations decrease exponentially with distance for low doping but as a power law for higher doping. Their pattern is compatible with the circulating current (CC) phase which Varma has proposed to explain the pseudogaped metallic phase in underdoped high-temperature superconductors. However, for model parameters leading to a realistic ground state in the undoped ladder, the current fluctuations decay faster than the ddd-wavelike pairing correlations in the hole-doped state, at least up to a doping of 10%. Thus we conclude that no phase with CC order or dominant CC fluctuations occur in the three-band model of two-leg CuO ladders at low doping.
Proximity to a Mott insulating phase is likely to be an important physical ingredient of a theory that aims to describe high-temperature superconductivity in the cuprates. Quantum cluster methods are well suited to describe the Mott phase. Hence, as a step toward a quantitative theory of the competition between antiferromagnetism and ddd-wave superconductivity in the cuprates, we use cellular dynamical mean-field theory to compute zero-temperature properties of the two-dimensional square lattice Hubbard model. The ddd-wave order parameter is found to scale like the superexchange coupling JJJ for on-site interaction UUU comparable to or larger than the bandwidth. The order parameter also assumes a dome shape as a function of doping, while, by contrast, the gap in the single-particle density of states decreases monotonically with increasing doping. In the presence of a finite second neighbor hopping ${t}^{\ensuremath{'}}$, the zero-temperature phase diagram displays the electron-hole asymmetric competition between antiferromagnetism and superconductivity that is observed experimentally in the cuprates. Adding realistic third neighbor hopping ${t}^{\ensuremath{''}}$ improves the overall agreement with the experimental phase diagram. Since band parameters can vary depending on the specific cuprate considered, the sensitivity of the theoretical phase diagram to band parameters challenges the commonly held assumption that the doping vs Tc∕Tcmax{T}_{c}∕{T}_{c}^{\mathit{max}}Tc​∕Tcmax​ phase diagram of the cuprates is universal. The calculated angle-resolved photoemission spectrum displays the observed electron-hole asymmetry. The tendency to homogeneous coexistence of the superconducting and antiferromagnetic order parameters is stronger than observed in most experiments but consistent with many theoretical results and with experiments in some layered high-temperature superconductors. Clearly, our calculations reproduce important features of ddd-wave superconductivity in the cuprates that would otherwise be considered anomalous from the point of view of the standard Bardeen--Cooper--Schrieffer approach. At strong coupling, ddd-wave superconductivity and antiferromagnetism naturally appear as two equally important competing instabilities of the normal phase of the same underlying Hamiltonian.
While both the hole and electron doped cuprates can exhibit ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while the doped electrons go on the Cu sites. Here we report the results of density-matrix-renormalization-group calculations for a three-orbital model of a CuO2{\mathrm{CuO}}_{2}CuO2​ lattice. In addition to the asymmetric dependence of the intra-unit-cell occupation of the Cu and O for hole and electron doping, we find important differences in the longer range spin and charge correlations. As expected, the pair-field response has a ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-like structure for both the hole and electron doped systems.