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arXiv:2504.07701 · Physical review. B./Physical review. B

Magnetic polarons at finite temperature: One-hole spectroscopy study

Toni Guthardt, Markus Scheb, Jan von Delft, Annabelle Bohrdt, Fabian Grusdt

Published Nov 14, 2025• 3 citations
arXivHTMLPDF

Abstract

The physics of strongly correlated fermions described by Hubbard or t − J models in the underdoped regime—relevant for high-temperature superconductivity in cuprate compounds—remains a subject of ongoing debate. In particular, the nature of charge carriers in this regime is poorly understood, in part due to the unusual properties of their spectral function. In this Letter, we present unbiased numerical results for the one-hole spectral function in a t − J model at finite temperatures. Our study provides valuable insights into the underlying physics of magnetic (or spin-) polaron formation in a doped antiferromagnet (AFM). For example, we find how the suppression of spectral weight outside the magnetic Brillouin zone—a precursor of Fermi arc formation–disappears with increasing temperature, revealing nearly-deconfined spinon excitations of the undoped AFM. The pristine setting we consider can be directly explored using quantum simulators. Our calculations demonstrate that coherent quasiparticle peaks associated with magnetic polarons can be observed up to temperatures T > J above the spin-exchange J , routinely obtained in such experiments. This paves the way for future studies of the fate of magnetic polarons in the pseudogap phase.

DOI
10.1103/4588-hpc2

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The physics of strongly correlated fermions described by Hubbard or t − J models in the underdoped regime—relevant for high-temperature superconductivity in cuprate compounds—remains a subject of ongoing debate. In particular, the nature of charge carriers in this regime is poorly understood, in part due to the unusual properties of their spectral function. In this Letter, we present unbiased numerical results for the one-hole spectral function in a t − J model at finite temperatures. Our study provides valuable insights into the underlying physics of magnetic (or spin-) polaron formation in a doped antiferromagnet (AFM). For example, we find how the suppression of spectral weight outside the magnetic Brillouin zone—a precursor of Fermi arc formation–disappears with increasing temperature, revealing nearly-deconfined spinon excitations of the undoped AFM. The pristine setting we consider can be directly explored using quantum simulators. Our calculations demonstrate that coherent quasiparticle peaks associated with magnetic polarons can be observed up to temperatures T > J above the spin-exchange J , routinely obtained in such experiments. This paves the way for future studies of the fate of magnetic polarons in the pseudogap phase.
The properties of mobile impurities in quantum magnets are fundamental for our understanding of strongly correlated materials and may play a key role in the physics of high-temperature superconductivity. Hereby, the motion of hole-like defects through an antiferromagnet has been of particular importance. It creates magnetic frustrations that lead to the formation of a quasiparticle, whose complex structure continues to pose substantial challenges to theory and numerical simulations. In this article, we develop a nonperturbative theoretical approach to describe the microscopic properties of such magnetic polarons. Based on the self-consistent Born approximation, which is provenly accurate in the strong-coupling regime, we obtain a complete description of the polaron wave function by solving a set of Dyson-like equations that permit to compute relevant spin-hole correlation functions. We apply this new method to analyze the spatial structure of magnetic polarons in the strongly interacting regime and find qualitative differences from predictions of previously applied truncation schemes. Our calculations reveal a remarkably high spatial symmetry of the polaronic magnetization cloud and a surprising misalignment between its orientation and the polaron crystal momentum. The developed framework opens up an approach to the microscopic properties of doped quantum magnets and will enable detailed analyses of ongoing experiments based on cold-atom quantum simulations of the Fermi-Hubbard model.
Abstract Using the strong-coupling diagram technique, low-temperature spectral properties of the two-dimensional fermionic Hubbard model are considered for strong and moderate Hubbard repulsions U . The electron hopping to the nearest, second and third neighbors is taken into account with hopping constants t , t ′ = − 0.3 t and t ″ = 0.2 t , respectively. The nonzero values of t ′ and t ″ lead to strong asymmetry in magnetic properties with respect to the hole and electron doping—for U = 8 t strong antiferromagnetic correlations are retained up to the electron concentration n ¯ ≈ 1.25 , while they are destroyed completely at n ¯ ≈ 0.87 . When the temperature is decreased to T ≲ 0.1 t , in a wide range of electron concentrations there appear narrow and intensive peaks at the Fermi level (FL) in densities of states. For U ≲ 6 t the peaks are seen even at half-filling, while for larger U they arise as the FL leaves the Mott gap. The peaks are connected with a narrow band emerging at low temperatures. We identify states forming the band with spin-polaron excitations—bound states of correlated electrons and mobile spin excitations. Obtained low-temperature spectral functions are used for interpreting the peak-dip-hump structure observed in the photoemission of Nd 2− x Ce x CuO 4 . In the case of hole doping, the calculated Fermi contour contains arcs near nodal points with pseudogaps near antinodal points, while for electron doping the spectral intensity is suppressed at hot spots, in agreement with experimental observations in cuprate perovskites.
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.
Angle-resolved photoemission spectroscopy (ARPES) has revealed peculiar properties of mobile dopants in correlated antiferromagnets (AFMs). But, describing them theoretically, even in simplified toy models, remains a challenge. Here, we study ARPES spectra of a single mobile hole in the $t\ensuremath{-}J$ model. Recent progress in the microscopic description of mobile dopants allows us to use a geometric decoupling of spin and charge fluctuations at strong couplings, from which we conjecture a one-to-one relation of the one-dopant spectral function and the spectrum of a constituting spinon in the undoped parent AFM. We thoroughly test this hypothesis for a single hole doped into a two-dimensional Heisenberg AFM by comparing our semianalytical predictions to previous quantum Monte Carlo results and our large-scale time-dependent matrix product state calculations of the spectral function. Our conclusion is supported by a microscopic trial wave function describing spinon-chargon bound states, which captures the momentum and t/Jt/Jt/J dependence of the quasiparticle residue. From our conjecture we speculate that ARPES measurements in the pseudogap phase of cuprates may directly reveal the Dirac-fermion nature of the constituting spinons. Specifically, we demonstrate that our trial wave function provides a microscopic explanation for the sudden drop of spectral weight around the nodal point associated with the formation of Fermi arcs, assuming that additional frustration suppresses long-range AFM ordering. We benchmark our results by studying the crossover from two to one dimension, where spinons and chargons are confined and deconfined, respectively.
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.
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.