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arXiv:2412.14951 · Communications Physics

Rise and fall of the pseudogap in the Emery model, insights for cuprates

M. O. Malcolms, Henri Menke, Yi-Ting Tseng, Eric Jacob, Karsten Held, P. Hansmann, Thomas Schäfer

Published May 19, 2026• 2 citations
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Abstract

Abstract The pseudogap in high-temperature superconducting cuprates is an exotic state of matter, displaying emerging Fermi arcs and a momentum-selective suppression of spectral weight upon cooling. We show how these phenomena are captured in the three-band Emery model by performing dynamical vertex approximation calculations for its normal state. For the hole-doped parent compound, our results demonstrate the formation of a pseudogap due to short-ranged commensurate antiferromagnetic fluctuations. At larger doping values, progressively, incommensurate correlations and a metallic regime appear. Our results are in qualitative agreement with this doping trend in the normal state of cuprates, and hence, represent a step towards the uniform description of their phase diagrams within a single theoretical framework.

DOI
10.1038/s42005-026-02685-6

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Abstract The pseudogap in high-temperature superconducting cuprates is an exotic state of matter, displaying emerging Fermi arcs and a momentum-selective suppression of spectral weight upon cooling. We show how these phenomena are captured in the three-band Emery model by performing dynamical vertex approximation calculations for its normal state. For the hole-doped parent compound, our results demonstrate the formation of a pseudogap due to short-ranged commensurate antiferromagnetic fluctuations. At larger doping values, progressively, incommensurate correlations and a metallic regime appear. Our results are in qualitative agreement with this doping trend in the normal state of cuprates, and hence, represent a step towards the uniform description of their phase diagrams within a single theoretical framework.
Abstract We investigate the doping evolution of the electronic state of the three-band t-J-U model considering the normal state of the hole-doped high- T c superconducting cuprate. In our model, when some number of holes are doped into the undoped state, the d electron exhibits the charge-transfer (CT)-type Mott-Hubbard transition along with a chemical potential jump. A reduced CT gap is formed from the p band and the coherent component of the d band, and it shrinks due to charge fluctuations as more holes are doped as in the pseudogap (PG) phenomenon. This trend is reinforced as the d-p band hybridization is increased, and a Fermi liquid state is retrieved as in the Kondo effect. These suggest that the PG in the hole-doped cuprate emerges due to the CT transition and the Kondo effect.
Anomalous properties of the normal state of a strongly correlated electron system described by an attractive extended Hubbard model are investigated. The equations of motion of the Green’s functions are calculated with the two-pole approximation which gives rise to quasiparticle renormalized bands. The two-pole approximation leads to a set of correlation functions. In particular, the antiferromagnetic correlation function plays an important role as a source of anomalies in the normal state of the model. The uniform static magnetic susceptibility as a function of occupation n T and temperature is calculated. At low temperatures, the susceptibility presents a peak for n T ≃ 0.80. The results suggest that it is the onset of short-range antiferromagnetic correlations, which could be a mechanism for the pseudogap. The Fermi surface, defined by the spectral function , is presented for different dopings. It has been observed that above n T ≃ 0.80 the ordinary Fermi surface evolves to a hole pocket with pseudogaps near the antinodal points (0,π) and (π,0).
We calculate the properties of the two-band Hubbard model using the dynamical cluster approximation. The phase diagram resembles the generic phase diagram of the cuprates, showing a strong asymmetry with respect to electron- and hole-doped regimes, in agreement with experiment. Asymmetric features are also seen in one-particle spectral functions and in the charge, spin, and ddd-wave pairing-susceptibility functions. We address the possible reduction of the two-band model to a low-energy single-band one, as it was suggested by Zhang and Rice. Comparing the two-band Hubbard model properties with the single-band Hubbard model ones, we have found similar low-energy physics provided that the next-nearest-neighbor hopping term ${t}^{\ensuremath{'}}$ has a significant value $({t}^{\ensuremath{'}}∕t\ensuremath{\approx}0.3)$. The parameter ${t}^{\ensuremath{'}}$ is the main culprit for the electron-hole asymmetry. However, a significant value of ${t}^{\ensuremath{'}}$ cannot be provided in a strict Zhang and Rice [Phys. Rev. B 37, R3759 (1988); 41, 7243 (1990)] picture where the extra holes added into the system bind to the existing Cu holes forming local singlets. We note that by considering approximate singlet states, such as plaquette states, reasonable values of ${t}^{\ensuremath{'}}$, which capture qualitatively the physics of the two-band model, can be obtained. We conclude that a single-band $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}\text{\ensuremath{-}}U$ Hubbard model captures the basic physics of the cuprates concerning superconductivity, antiferromagnetism, pseudogap, and electron-hole asymmetry, but is not suitable for a quantitative analysis or to describe physical properties involving energy scales larger than about 0.5 eV.
Despite the intense theoretical and experimental effort, an understanding of the superconducting pairing mechanism of the high-temperature superconductors 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 gap-like behavior on parts of the Fermi surface, leaving a non-gapped segment known as Fermi arc around the diagonal of the Brillouin zone. Starting from the ttt-JJJ model, in this paper we present a microscopic approach to investigate physical properties of the pseudogap phase in the framework of a novel renormalization scheme called PRM. This approach is based on a stepwise elimination of high-energy transitions using unitary transformations. We arrive at a renormalized 'free' Hamiltonian for correlated electrons. The ARPES spectral function along the Fermi surface turns out to be in good agreement with experiment: We find well-defined excitation peaks around ω=0ω=0ω=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 ωωω-range around the Fermi energy. In a subsequent paper, also the supercunducting phase at moderate hole doping will be discussed within the PRM approach.
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.
The theoretical investigation of spectral functions and pseudogap in systems with strongly correlated electrons is discussed, with the emphasis on the single-band t-J model as relevant for superconducting cuprates. The evidence for the pseudogap features from numerical studies of the model is presented. One of the promising methods to study spectral functions is the method of equations of motion. The latter can deal systematically with the local constraints and projected fermion operators inherent for strongly correlated electrons. In the evaluation of the self energy the decoupling of spin and single-particle fluctuations is performed. In an undoped antiferromagnet the method reproduces the selfconsistent Born approximation (SCBA). For finite doping the approximation evolves into a paramagnon contribution which retains large incoherent contribution in the hole part. On the other hand, the contribution of longer-range spin fluctuations is essential for the emergence of the pseudogap. The latter shows up at low doping in the effective truncation of the large Fermi surface, reduced electron density of states and at the same time reduced quasiparticle density of states at the Fermi level.