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Physica Scripta

Series expansion at high-temperature of the 2D Hubbard model via divided difference many-body perturbation theory

Chafia Bendjeroudib, Mohamed Amine Tag

Published Apr 24, 2025• 1 citation
Publisher

Abstract

Abstract We investigated the two-dimensional Hubbard model using many-body perturbation theory, focusing on the systematic computation of thermodynamic properties. The contributions of generalized Hugenholtz (Feynman) diagrams were evaluated symbolically and reformulated using divided differences, enabling efficient and precise calculations. We derived the coefficients of the grand potential expansion up to the eighth order in both the interaction potential (U-expansion) and the inverse temperature (β-expansion). Additionally, we presented results for magnetic susceptibility and heat capacity at half-filling, providing critical insights into the thermodynamic behavior of the model in this regime.

DOI
10.1088/1402-4896/add056

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Abstract We investigated the two-dimensional Hubbard model using many-body perturbation theory, focusing on the systematic computation of thermodynamic properties. The contributions of generalized Hugenholtz (Feynman) diagrams were evaluated symbolically and reformulated using divided differences, enabling efficient and precise calculations. We derived the coefficients of the grand potential expansion up to the eighth order in both the interaction potential (U-expansion) and the inverse temperature (β-expansion). Additionally, we presented results for magnetic susceptibility and heat capacity at half-filling, providing critical insights into the thermodynamic behavior of the model in this regime.
We present symbolic algorithms designed to investigate the perturbative expansions of the d-Hubbard model. These methods are part of recent developments in many-body perturbation theory that aim to reformulate Feynman diagrams in terms of divided differences. The direct application of this technique to the one-dimensional Hubbard model yields the coefficients of the grand potential up to the sixth order, expressed in terms of both the interacting potential (U expansions) and high-temperature expansions (β expansions). A key feature of this approach is the ability to merge the β expansions to any desired order. To verify our analytical results, we compare the derived magnetic susceptibility with the exact solution of the quantum transfer matrix method in the half-filled case.
Abstract We present a new algorithm to evaluate the grand potential at high and finite temperatures using many-body perturbation theory. This algorithm enables us to calculate the contribution of any Hugenholtz or Feynman vacuum diagrams and formulate the results as a sum of divided differences. Additionally, the proposed method is applicable to any interaction in any dimension, allowing us to calculate thermodynamic quantities efficiently at any given temperature, particularly at high temperatures.Furthermore, we apply this algorithm to the Heisenberg spin-1/2 XXZ chain. We obtain all coefficients of the high-temperature expansion of the free energy and susceptibility per site of this model up to the sixth order.
We investigate the grand potential of the one-dimensional Hubbard model in the high-temperature limit, calculating the coefficients of the high-temperature expansion $(\ensuremath{\beta}$-expansion) of this function up to order ${\ensuremath{\beta}}^{4}$ by an alternative method. The results derived are analytical and do not involve any perturbation expansion in the hopping constant, being valid for arbitrary density of electrons in the one-dimensional model. In the half-filled case, we compare our analytical results for the specific heat and the magnetic susceptibility, in the high-temperature limit, with the ones obtained by Beni et al. [Phys. Rev. B 8, 3329 (1973)] and Takahashi's integral equations, showing that the latter result does not take into account the complete energy spectrum of the one-dimensional Hubbard model. The exact integral solution by J\"uttner et al. [Nucl. Phys. B 522, 471 (1998)] is applied to the determination of the range of validity of our expansion in $\ensuremath{\beta}$ in the half-filled case, for several different values of U.
We study the single-band Hubbard model via high-temperature expansions to order (\ensuremath{\beta}t)9{)}^{9})9 for the standard two- and three-dimensional lattices. Series are derived for the grand potential and for the ferromagnetic susceptibility, for general values of the Coulomb repulsion parameter U and electron density n. The series are difficult to analyze with any degree of precision, but estimates are obtained for the ferromagnetic critical temperature.
The phase diagram of the 2D t-J model has been investigated using high temperature expansions. Series for the Helmholtz free energy, the inverse compressibility, the chemical potential and the uniform spin susceptibility through tenth order on a square lattice have been calculated using the finite cluster method.1 The series are analytically continued beyond their radius of convergence by Padé and integral approximants. The most accurate extrapolations can be made for the Helmholtz free energy where for J/t≈0.3 and n≈0.9 we can reach T~t/5. We can test the accuracy of the continuation methods by comparing with the 1D results for the boundary of phase separation of Ogata et al.2 In 2D a region of phase separation was found at T=0 for J/t lying above a line extending from J/t=3.8 at zero filling to J/t=1.2 at half filling. No phase separation was found at very small J/t contrary to the earlier suggestion of Emery et al3 which was based on results from exact diagonalisation on 4×4 clusters but in agreement with Quantum Monte Carlo (QMC) calculations on the Hubbard model.4 For very small J/t near half filling where the Nagaoka effect is possible, we find a region of divergent uniform magnetic susceptibility at T=0. However the divergence is very weak when compared with the exponential behaviour expected from a 2D ferromagnet. This might imply a substantially reduced moment which is consistent with the recent QMC estimates of Zhang et al.5