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Physica Scripta

Finite and high-temperature series expansion via many-body perturbation theory: application to Heisenberg spin-1/2 XXZ chain

Mohamed Amine Tag, Abid Boudiar, Mohamed El-Hadi Mansour, Abdelkader Hafdallah, Chafia Bendjeroudib, Beddiaf Zaidi

Published May 10, 2024• 5 citations
Publisher

Abstract

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.

DOI
10.1088/1402-4896/ad49e6

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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.
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.
The Heisenberg XXZ model is a chain model with nearest-neighbor interactions. Its thermodynamics is exactly obtained via Bethe ansatz. Recently, we developed a method to derive the high-temperature expansion of the grand potential per site of translationally invariant chain models, with periodic boundary conditions. Here we apply this approach to the XXZ model with periodic boundary conditions for the Ising limit case (t = 0) and the free fermion case (delta = 0 and h = 0), obtaining results in agreement with the literature. In this new way of obtaining the coefficients of the high-temperature expansion of the grand potential, the coefficients are derived from an auxiliary function written only in terms of open connected sub-chains.
We consider an arbitrary translationally invariant chain model with nearest neighbors interaction and satisfying periodic boundary condition. The approach developed here allows a thermodynamic description of the chain model directly in terms of grand potential per site. This thermodynamic function is derived from an auxiliary function constructed only from open connected subchains. In order to exemplify its application and how this approach works we consider the Heisenberg XXZ model. We obtain the coefficients of the high temperature expansion of the free energy per site of the model up to third order.
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.
By combining conventional finite-temperature many-body perturbation theory with cluster expansions, we develop a systematic method to carry out high order arbitrary temperature perturbative calculations on a computer. The method is well suited to studying the thermodynamic properties of quantum disordered and quantum critical phases at finite temperatures. As an application, we calculate the magnetic susceptibility, internal energy, and specific heat of the bilayer Heisenberg model. It is shown that for a wide range of coupling constants these expansions show excellent convergence at all temperatures. Comparing the direct series (without extrapolations) for the bulk susceptibility to quantum Monte Carlo simulations we find an almost perfect agreement between the two methods even at the quantum critical coupling separating the dimerized and antiferromagnetic phases. The convergence fails only at very low temperatures, which are also difficult to reach by quantum Monte Carlo simulations.