Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2606.01716

Doping- and temperature-dependent electronic structure and spin dynamics in the Hubbard model on a square lattice within cluster perturbation theory

V. I. Kuz'min, S. G. Ovchinnikov

Published Jun 1, 2026• 0 citations
arXivHTMLPDF

Abstract

The doping and temperature dependencies of the electronic structure and the dynamic spin susceptibility of the Hubbard model on a square lattice are studied within cluster perturbation theory (CPT). The most general features of both electronic and spin spectra qualitatively agree with the experimental data on cuprates. Generalized mean-field calculations of the electronic structure using static short-range magnetic correlations from CPT are also implemented and compared with the results of CPT, allowing us to discuss the role of short-range antiferromagnetism in the formation of the pseudogap.

DOI
10.48550/arxiv.2606.01716

Related papers

Doping and temperature evolution of pseudogap and spin-spin correlations in the two-dimensional Hubbard model

V. I. Kuz’min, Maxim A. Visotin, Sergey V. Nikolaev +1 more

Cluster perturbation theory is applied to the two-dimensional Hubbard $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}{t}^{\ensuremath{'}\ensuremath{'}}\ensuremath{-}U$ model to obtain doping and temperature-dependent electronic spectral function with $4\ifmmode\times\else\texttimes\fi{}4$ and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I-like electronic dispersion becomes more pronounced, the Fermi arc turns into a large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.

arXiv:2001.05143•Physical review. B./Physical review. B•Mar 25, 2020•20 citations

Pseudogap in the lightly hole-doped triangular-lattice moiré Hubbard model

V. I. Kuz’min, Maxim A. Visotin, Sergei G. Ovchinnikov

The electronic structure of the lightly hole-doped triangular-lattice moir\'e Hubbard model is studied within cluster perturbation theory (CPT) using 13-site clusters for a fixed doping concentration $p=1/13$ varying the Coulomb parameter $U$ and the hopping phase parameter $\ensuremath{\phi}$ related to the spin-orbital interaction. We have also developed a rather simple generalized mean-field approximation (GMFA) containing the amplitude of the spin correlations as a free parameter to fit the CPT data. The evolution of the Fermi surface and the pseudogap with the parameters $\ensuremath{\phi}$ and $U$ is explained from the viewpoint of the short-range magnetic order. The geometric frustration and the additional model parameter related to the spin-orbital interaction result in a more rich physics of the pseudogap state compared to the case of a more conventional square lattice.

arXiv:2507.09586•Physical review. B./Physical review. B•Aug 29, 2025•0 citations

One- and Two-Particle Correlation Functions in the Cluster Perturbation Theory for Cuprates

V. I. Kuz’min, Sergey V. Nikolaev, M. M. Korshunov +1 more

The physics of high-Tc superconducting cuprates is obscured by the effect of strong electronic correlations. One way to overcome this problem is to seek an exact solution at least within a small cluster and expand it to the whole crystal. Such an approach is at the heart of cluster perturbation theory (CPT). Here, we developed CPT for the dynamic spin and charge susceptibilities (spin-CPT and charge-CPT), with the correlation effects explicitly taken into account by the exact diagonalization. We applied spin-CPT and charge-CPT to the effective two-band Hubbard model for the cuprates obtained from the three-band Emery model and calculated one- and two-particle correlation functions, namely, a spectral function and spin and charge susceptibilities. The doping dependence of the spin susceptibility was studied within spin-CPT and CPT-RPA, that is, the CPT generalization of the random phase approximation (RPA). In the underdoped region, both our methods resulted in the signatures of the upper branch of the spin excitation dispersion with the lowest excitation energy at the (π,π) wave vector and no presence of low-energy incommensurate excitations. In the high doping region, both methods produced a low energy response at four incommensurate wave vectors in qualitative agreement with the results of the inelastic neutron scattering experiments on overdoped cuprates.

arXiv:2305.01882•Materials•Jun 27, 2023•6 citations

Pseudogap and Antiferromagnetic Correlations in the Hubbard Model

Alexandru Macridin, Mark Jarrell, Thomas Maier +2 more

Using the dynamical cluster approximation and quantum Monte Carlo simulations we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping . In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long-range antiferromagnetic correlations. The physics in the proximity of (0, pi) is dramatically influenced by t' and determined by the short range correlations. The effect t' of on the low-energy angle-resolved photoemission spectroscopy spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pseudogap signal in the magnetic susceptibility and produce a concomitant gap in the single-particle spectra near (pi, pi/2), but not necessarily at a location in the proximity of the Fermi surface.

arXiv:cond-mat/0509166•Physical Review Letters•Jul 19, 2006•135 citations

Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 × 2 cluster

Sergey V. Nikolaev, Sergei G. Ovchinnikov

The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 × 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

Journal of Experimental and Theoretical Physics•Oct 1, 2010•15 citations

Cluster dynamical mean field theory study of antiferromagnetic transition in the square-lattice Hubbard model: Optical conductivity and electronic structure

Toshihiro Sato, Hirokazu Tsunetsugu

We numerically study optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ near the ``antiferromagnetic'' phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections and, to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature and $\ensuremath{\omega}$ dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the $\ensuremath{\omega}$ dependence, and sharpen the Drude peak and a high-$\ensuremath{\omega}$ incoherent peak in the paramagnetic phase. They also enhance the dip in $\ensuremath{\sigma}(\ensuremath{\omega})$ at $\ensuremath{\omega}=0$ in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but $\ensuremath{\sigma}(\ensuremath{\omega})$ retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.

Physical review. B./Physical review. B•Aug 8, 2016•18 citations
The doping and temperature dependencies of the electronic structure and the dynamic spin susceptibility of the Hubbard model on a square lattice are studied within cluster perturbation theory (CPT). The most general features of both electronic and spin spectra qualitatively agree with the experimental data on cuprates. Generalized mean-field calculations of the electronic structure using static short-range magnetic correlations from CPT are also implemented and compared with the results of CPT, allowing us to discuss the role of short-range antiferromagnetism in the formation of the pseudogap.
Cluster perturbation theory is applied to the two-dimensional Hubbard $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}{t}^{\ensuremath{'}\ensuremath{'}}\ensuremath{-}U$ model to obtain doping and temperature-dependent electronic spectral function with $4\ifmmode\times\else\texttimes\fi{}4$ and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I-like electronic dispersion becomes more pronounced, the Fermi arc turns into a large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.
The electronic structure of the lightly hole-doped triangular-lattice moir\'e Hubbard model is studied within cluster perturbation theory (CPT) using 13-site clusters for a fixed doping concentration p=1/13p=1/13p=1/13 varying the Coulomb parameter UUU and the hopping phase parameter $\ensuremath{\phi}$ related to the spin-orbital interaction. We have also developed a rather simple generalized mean-field approximation (GMFA) containing the amplitude of the spin correlations as a free parameter to fit the CPT data. The evolution of the Fermi surface and the pseudogap with the parameters $\ensuremath{\phi}$ and UUU is explained from the viewpoint of the short-range magnetic order. The geometric frustration and the additional model parameter related to the spin-orbital interaction result in a more rich physics of the pseudogap state compared to the case of a more conventional square lattice.
The physics of high-Tc superconducting cuprates is obscured by the effect of strong electronic correlations. One way to overcome this problem is to seek an exact solution at least within a small cluster and expand it to the whole crystal. Such an approach is at the heart of cluster perturbation theory (CPT). Here, we developed CPT for the dynamic spin and charge susceptibilities (spin-CPT and charge-CPT), with the correlation effects explicitly taken into account by the exact diagonalization. We applied spin-CPT and charge-CPT to the effective two-band Hubbard model for the cuprates obtained from the three-band Emery model and calculated one- and two-particle correlation functions, namely, a spectral function and spin and charge susceptibilities. The doping dependence of the spin susceptibility was studied within spin-CPT and CPT-RPA, that is, the CPT generalization of the random phase approximation (RPA). In the underdoped region, both our methods resulted in the signatures of the upper branch of the spin excitation dispersion with the lowest excitation energy at the (π,π) wave vector and no presence of low-energy incommensurate excitations. In the high doping region, both methods produced a low energy response at four incommensurate wave vectors in qualitative agreement with the results of the inelastic neutron scattering experiments on overdoped cuprates.
Using the dynamical cluster approximation and quantum Monte Carlo simulations we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping . In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long-range antiferromagnetic correlations. The physics in the proximity of (0, pi) is dramatically influenced by t' and determined by the short range correlations. The effect t' of on the low-energy angle-resolved photoemission spectroscopy spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pseudogap signal in the magnetic susceptibility and produce a concomitant gap in the single-particle spectra near (pi, pi/2), but not necessarily at a location in the proximity of the Fermi surface.
The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 × 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.
We numerically study optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$ near the ``antiferromagnetic'' phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections and, to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature and $\ensuremath{\omega}$ dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the vertex corrections enhance variations in the $\ensuremath{\omega}$ dependence, and sharpen the Drude peak and a high-$\ensuremath{\omega}$ incoherent peak in the paramagnetic phase. They also enhance the dip in $\ensuremath{\sigma}(\ensuremath{\omega})$ at $\ensuremath{\omega}=0$ in the antiferromagnetic phase. Therefore, the dc conductivity is enhanced in the paramagnetic phase and suppressed in the antiferromagnetic phase, but this change occurs slightly below the transition temperature. We also find a temperature region above the transition temperature in which the dc conductivity shows an insulating behavior but $\ensuremath{\sigma}(\ensuremath{\omega})$ retains the Drude peak, and this region is stabilized by the vertex corrections. We also investigate which fluctuations are important in the vertex corrections and analyze momentum dependence of the vertex function in detail.