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arXiv:2610.19269

Spectral signatures of spin textures and the emergence of a pseudogap

Matteo Quinzi, Andrea Pintus, Tommaso Chiarotti, Massimo Capone, Nicola Marzari

Published Oct 13, 2026• 0 citations
arXivHTMLPDF

Abstract

Strongly correlated solids exhibit phenomena -- from Mott localization to high-temperature superconductivity -- that escape conventional band theory. Efforts to address this unconventional physics have been typically cast in the language of Green's function theories, with the associated self-energies capturing strong correlations beyond the reach of mean-field theories. Here, we underscore that frequency- and momentum-dependent self-energies emerge also from mean-field solutions that break translational symmetry, and that these self-energies can display the characteristic fingerprints of strong correlations for certain, physically meaningful, spatial patterns. In the paradigmatic case of the 2D Hubbard model, we find that already at the mean-field level the doped antiferromagnet develops, in addition to long-range ordered stripes, many quasi-degenerate self-consistent solutions with antiferromagnetic textures organized into antiphase domains separated by hole-rich interfaces of convoluted shape, reminiscent of the phase-separation scenario. Remarkably, these solutions map into spectral functions that display very distinctively the phenomenology of the pseudogap, including the nodal-antinodal dichotomy, Fermi arcs, and a complementary Luttinger surface. The result is a conceptually simple description of such a complex phenomenon, where a pseudogap emerges as the momentum-space spectral portrait of the real-space interplay between antiferromagnetic domains and their metallic interfaces.

DOI
10.48550/arxiv.2610.19269

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Strongly correlated solids exhibit phenomena -- from Mott localization to high-temperature superconductivity -- that escape conventional band theory. Efforts to address this unconventional physics have been typically cast in the language of Green's function theories, with the associated self-energies capturing strong correlations beyond the reach of mean-field theories. Here, we underscore that frequency- and momentum-dependent self-energies emerge also from mean-field solutions that break translational symmetry, and that these self-energies can display the characteristic fingerprints of strong correlations for certain, physically meaningful, spatial patterns. In the paradigmatic case of the 2D Hubbard model, we find that already at the mean-field level the doped antiferromagnet develops, in addition to long-range ordered stripes, many quasi-degenerate self-consistent solutions with antiferromagnetic textures organized into antiphase domains separated by hole-rich interfaces of convoluted shape, reminiscent of the phase-separation scenario. Remarkably, these solutions map into spectral functions that display very distinctively the phenomenology of the pseudogap, including the nodal-antinodal dichotomy, Fermi arcs, and a complementary Luttinger surface. The result is a conceptually simple description of such a complex phenomenon, where a pseudogap emerges as the momentum-space spectral portrait of the real-space interplay between antiferromagnetic domains and their metallic interfaces.
Though most fermionic Mott insulators order at low temperatures, ordering is ancillary to their insulating behavior. Our emphasis here is on disentangling ordering from the intrinsic strongly correlated physics of a doped half-filled band. To this end, we focus on the two-dimensional Hubbard model. Because the charge gap arises from on-site correlations, we have been refining the nonperturbative approach of Matsumoto and Mancini [Phys. Rev. B 55, 2095 (1997)] which incorporates local physics. Crucial to this method is a self-consistent two-site dynamical cluster expansion which builds in the nearest-neighbor energy scale J. At half-filling, we find that the spectral function possesses a gap of order U and is devoid of any coherent quasiparticle peaks although ordering or charge fractionalization are absent. At low temperatures, local antiferromagnetic correlations emerge. In the doped case, we find that the Fermi surface exceeds the Luttinger volume. The breakdown of Luttinger's theorem in the underdoped regime is traced both to the dynamically generated Mott gap as well to a nonvanishing of the imaginary part of the self-energy at the Fermi level. Spectral weight transfer across the Mott gap also emerges as a ubiquitous feature of a doped Mott insulator and suggests that high- and low-energy scales are inseparable. Additionally in the underdoped regime, we find that a pseudogap exists in the single-particle density of states as well as in the heat capacity. The pseudogap (which is set by the energy scale t2/U){t}^{2}/U)t2/U) is argued to be a ubiquitous feature of a lightly doped Mott state and simply represents the fact that hole transport involves double occupancy. In analogy with the Mott gap and antiferromagnetism, we propose that ordering may also accompany the formation of a pseudogap. We suggest a current pattern within a one-band model that preserves translational but breaks time-reversal symmetry along the canonical x and y axes but not along $x=\ifmmode\pm\else\textpm\fi{}y$ that is consistent with the experimental observations. Finally, we show that the Hall coefficient in a doped Mott insulator must change sign at a doping level x<1/3.x<1/3.x<1/3. The sign change is tied to a termination of strong correlation physics in the doped Mott state.
We investigate the doped two-dimensional Hubbard model at finite temperature using controlled diagrammatic Monte Carlo calculations allowing for the computation of spectral properties in the infinite-size limit and, crucially, with arbitrary momentum resolution. We show that three distinct regimes are found as a function of doping and interaction strength, corresponding to a weakly correlated metal with properties close to those of the non-interacting system, a correlated metal with strong interaction effects including a reshaping of the Fermi surface, and a pseudogap regime at low doping in which quasiparticle excitations are selectively destroyed near the antinodal regions of momentum space. We study the physical mechanism leading to the pseudogap and show that it forms both at weak coupling when the magnetic correlation length is large and at strong coupling when it is shorter. In both cases, we show that spin-fluctuation theory can be modified in order to account for the behavior of the non-local component of the self-energy. We discuss the fate of the pseudogap as temperature goes to zero and show that, remarkably, this regime extrapolates precisely to the ordered stripe phase found by ground-state methods. This handshake between finite temperature and ground-state results significantly advances the elaboration of a comprehensive picture of the physics of the doped Hubbard model.
Pseudogap physics in strongly correlated systems is essentially scale dependent. We generalize the dynamical mean-field theory (DMFT) by introducing into the DMFT equations dependence on the correlation length of pseudogap fluctuations via an additional (momentum-dependent) self-energy Σk. This self-energy describes nonlocal dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT +Σk approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with nearest- and next-nearest-neighbor hopping. The effective single impurity problem is solved by the numerical renormalization group (NRG). Both types of strongly correlated metals, namely (i) the doped Mott insulator and (ii) the case of bandwidth W≲U (U is the value of local Coulomb interaction) are considered. Densities of states, spectral functions and ARPES spectra calculated within DMFT +Σk show a pseudogap formation near the Fermi level of the quasiparticle band. We also briefly discuss effects of random impurity scattering. Finally we demonstrate a qualitative picture of Fermi surface “destruction” due to pseudogap fluctuations and formation of “Fermi arcs” which agrees well with ARPES observations.
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.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale $\ensuremath{\xi}$ via a momentum dependent external self-energy ${\ensuremath{\Sigma}}_{\mathbf{k}}$. This external self-energy describes nonlocal dynamical correlations induced by the short-ranged collective spin density wave--like antiferromagnetic spin (or the charge density wave--like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with a finite correlation length. This generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with the nearest and the next nearest neighbor hopping. The effective single impurity problem in this generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ is solved by the numerical renormalization group. Both types of the strongly correlated metals, namely: (i) The doped Mott insulator and (ii) the case of the bandwidth $W\ensuremath{\lesssim}U$ (UUU---value of the local Coulomb interaction) are considered. The densities of states, the spectral functions, and the angle resolved photoemission spectra calculated within the $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ show a pseudogap formation near the Fermi level of the quasiparticle band.
Abstract Non-Fermi liquid behavior and pseudogap formation are among the most well-known examples of exotic spectral features observed in several strongly correlated materials such as the hole-doped cuprates, nickelates, iridates, ruthenates, ferropnictides, doped Mott organics, transition metal dichalcogenides, heavy fermions, d- and f-electron metals, etc. We demonstrate that these features are inevitable consequences when fermions couple to an unconventional Bose metal (Hegg et al 2021 Proc. Natl. Acad. Sci. 118) mean field consisting of lower-dimensional coherence. Not only do we find both exotic phenomena, but also a host of other features that have been observed e.g. in the cuprates including nodal anti-nodal dichotomy and pseudogap asymmetry (symmetry) in momentum (real) space. Obtaining these exotic and heretofore mysterious phenomena via a mean field offers a simple, universal, and therefore widely applicable explanation for their ubiquitous empirical appearance.