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arXiv:2403.14768 · Journal of Statistical Physics

Universality of Mean-Field Antiferromagnetic Order in an Anisotropic 3D Hubbard Model at Half-Filling

Edwin Langmann A, Jonatan Lenells

Published Jan 12, 2025• 2 citations
arXivHTMLPDF

Abstract

Abstract We study Hartree–Fock theory at half-filling for the 3D anisotropic Hubbard model on a cubic lattice with hopping parameter t in the x - and y -directions and a possibly different hopping parameter $$t_z$$ t z in the z -direction; this model interpolates between the 2D and 3D Hubbard models corresponding to the limiting cases $$t_z=0$$ t z = 0 and $$t_z=t$$ t z = t , respectively. We first derive all-order asymptotic expansions for the density of states. Using these expansions and units such that $$t=1$$ t = 1 , we analyze how the Néel temperature and the antiferromagnetic mean field depend on the coupling parameter, U , and on the hopping parameter $$t_z$$ t z . We derive asymptotic formulas valid in the weak coupling regime, and we study in particular the transition from the three-dimensional to the two-dimensional model as $$t_z \rightarrow 0$$ t z → 0 . It is found that the asymptotic formulas are qualitatively different for $$t_z = 0$$ t z = 0 (the two-dimensional case) and $$t_z > 0$$ t z > 0 (the case of nonzero hopping in the z -direction). Our results show that certain universality features of the three-dimensional Hubbard model are lost in the limit $$t_z \rightarrow 0$$ t z → 0 in which the three-dimensional model reduces to the two-dimensional model.

DOI
10.1007/s10955-024-03390-w

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We study the magnetic properties of the three-dimensional (3D) Hubbard model at half filling in the two particle self-consistent formalism, previously developed for the 2D model. We focus on the N\'eel transition approached from the disordered side and on the paramagnetic phase. We find a very good quantitative agreement with dynamical mean-field (DMF) results for the isotropic 3D model. Calculations on finite size lattices also provide satisfactory comparisons with Monte Carlo results up to the intermediate coupling regime. We point out a qualitative difference between the isotropic 3D case, and the 2D or anisotropic 3D cases for the double occupation factor. Even for this local correlation function, 2D or anisotropic 3D cases are out of reach of DMF: this comes from the inability of DMF to account for antiferromagnetic fluctuations, which are crucial.
Abstract We consider the antiferromagnetic gap for the half-filled two-dimensional (2D) Hubbard model (on a square lattice) at zero temperature in Hartree–Fock theory. It was conjectured by Hirsch in 1985 that this gap, Δ\Delta Δ Δ , vanishes like exp⁡(−2πt/U)\exp (-2\pi \sqrt{t/U})exp(−2πt/U​) exp ( - 2 π t / U ) in the weak-coupling limit U/t↓0U/t\downarrow 0U/t↓0 U / t ↓ 0 ( U>0U>0U>0 U > 0 and t>0t>0t>0 t > 0 are the usual Hubbard model parameters). We give a proof of this conjecture based on recent mathematical results about Hartree-Fock theory for the 2D Hubbard model. The key step is the exact computation of an integral involving the density of states of the 2D tight binding band relation.
The ground-state phase diagram of the one-dimensional asymmetric Hubbard model at half-filling is studied by means of a perturbation expansion in the large-U limit and White's density matrix renormalization-group method for various values of the couplings. We argue that the introduction of asymmetry in the hopping parameters is a relevant perturbation for any repulsive U and drives the system into an ordered N\'eel antiferromagnet. The transition belongs to the Kosterlitz-Thouless universality class.
We have studied the two-dimensional Hubbard model on a square lattice with nearest-neighbor hopping. We first discuss the properties of the model within the mean-field approximation: Because of the form of the band structure, some peculiar features are found. We then discuss the simulation algorithm used and compare simulation results with exact results for 6-site chains to test the reliability of the approach. We present results for thermodynamic properties and correlation functions for lattices up to 8\ifmmode\times\else\texttimes\fi{}8 in spatial size. The system is found to be an antiferromagnetic insulator for all values of the coupling constant at zero temperature in the half-filled-band case, but the long-range order is much smaller than predicted by mean-field theory. We perform a finite-size-scaling analysis to determine the character of the transition at zero coupling. For non-half-filled-band cases, our results suggest that the system is always paramagnetic, in contradiction with Hartree-Fock predictions. The system does not show tendency to ferromagnetism nor triplet superconductivity in the parameter range studied. We also discuss some properties of the attractive Hubbard model in the half-filled-band case.
Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experimental realization via cold atoms in an optical lattice. Analytical and numerical results are limited away from half-filling. We study the ground state of the doped system from weak to intermediate interaction strengths within the generalized Hartree-Fock approximation. The exact solution to the self-consistent-field equations in the thermodynamic limit is obtained and the ground state is shown to exhibit antiferromagnetic order and incommensurate spin-density waves (SDW). At low interaction strengths, the SDW has unidirectional character with a leading wavevector along the [100]-direction, and the system is metallic. As the interaction increases, the system undergoes a simultaneous structural and metal-to-insulator transition to a unidirectional SDW state along the [111]-direction, with a different wavelength. We systematically determine the real and momentum space properties of these states. The crossover from 3D to two dimensions (2D) is then studied by varying the inter-plane hopping amplitude, which can be experimentally realized by tuning the distance between a stack of square-lattice layers. Detailed comparisons are made between the exact numerical results and predictions from the pairing model, a variational ansatz based on the pairing of spins in the vicinity of the Fermi surface. Most of the numerical results can be understood quantitatively from the ansatz, which provides a simple picture for the nature of the SDW states.
Abstract We consider the extended Hubbard model on a two-dimensional square lattice at half-filling. The model is investigated using the strong coupling diagram technique. We sum infinite series of ladder diagrams allowing for full-scale charge and spin fluctuations and the actual short-range antiferromagnetic order for nonzero temperatures. In agreement with earlier results, we find the first-order phase transition in the charge subsystem occurring at v = v c ≳ U/4 with v and U the intersite and on-site Coulomb repulsion constants. The transition reveals itself in an abrupt sign change of a sharp maximum in the zero-frequency charge susceptibility at the corner of the Brillouin. States arising at the transition have alternating deviations of electron occupations from the mean value on neighboring sites. Due to fluctuations, these alternating occupation deviations have short-range order. For the considered parameters, such behavior is found for U ≲ 5t with t the hopping constant. For the insulating case U ≳ 6t, in which the transition is not observed, we find a continuous growth of the Mott gap with v. The evolution of the electron density of states with increasing v is also considered.