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Physical review. B, Condensed matter

Variational cumulant expansion for the Heisenberg model with the critical temperature determined to third order

Ruijie Liu, T. L. Chen

Published Oct 1, 1994• 9 citations
Publisher

Abstract

The variational-cumulant-expansion (VCE) method is adopted to calculate the Heisenberg model. The free energy of the model is expanded to the third order, and the analytical formulas for the critical temperature ${\mathit{T}}_{\mathit{c}}$ are given for each order. The first order of VCE corresponds to the mean-field theory, the second order gives the same result for ${\mathit{T}}_{\mathit{c}}$ as the 1/z expansion, and the third order gives a more complicated correction. As a comparison, the results of the two-dimensional (2D) Ising model for VCE to the seventh order are shown. We carry out a trial to predict the critical temperature of the infinite order of the VCE, and get a very accurate result for the 2D Ising model. A prediction of ${\mathit{T}}_{\mathit{c}}$ for the Heisenberg model is also made.

DOI
10.1103/physrevb.50.9169

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The variational-cumulant-expansion (VCE) method is adopted to calculate the Heisenberg model. The free energy of the model is expanded to the third order, and the analytical formulas for the critical temperature Tc{\mathit{T}}_{\mathit{c}}Tc​ are given for each order. The first order of VCE corresponds to the mean-field theory, the second order gives the same result for Tc{\mathit{T}}_{\mathit{c}}Tc​ as the 1/z expansion, and the third order gives a more complicated correction. As a comparison, the results of the two-dimensional (2D) Ising model for VCE to the seventh order are shown. We carry out a trial to predict the critical temperature of the infinite order of the VCE, and get a very accurate result for the 2D Ising model. A prediction of Tc{\mathit{T}}_{\mathit{c}}Tc​ for the Heisenberg model is also made.
The variational-cumulant expansion (VCE) method is used to calculate the quantum XY model, for which the trial action does not commute with the action , with arbitrary magnitude of spin on various one-, two- and three-dimensional lattices. The free energy of the model is expanded to the third order and the analytical formulae of critical temperature are given for each order. To testify this method in a wider range, the Heisenberg model on different lattices is also calculated, which has more comparable results. Weighted fitting method of statistical mathematics is adopted to predict of infinite order.
In order to investigate the variational-cumulant expansion (VCE) method, the 2-dimensional Ising model is expanded to the seventh order by adopting the method of enumerating connected diagrams, in whose process, how to determine the variational parameter is analyzed. The internal energy , specific heat and spontaneous magnetization are calculated from the first order to the seventh order. The results show that the thermodynamic and magnetic quantities converge to the exact values very quickly and the critical point approaches the exact one order by order. The curve-pairing phenomenon is watched between neighboring order curves at high temperature region.
The standard variational-cumulant expansion (VC) combined with a scheme for the enumeration of connected diagrams is employed to study the simple Ising model with the second-order phase transition. This model is evaluated to the 5th order approximations. A comparison with the 2-dimensional exact results shows that thermodynamic quantities converge rather slowly to the exact values in the intermediate region. A strict analytical calculation of the critical temperature with the 5th order approximation both for and cumulant expansion suggests that VC can achieve rather high standard accuracy if the variational parameters could be determined up to higher degrees of corrections rather than the first one. Anomalies are found for and at extremely low temperature. A detailed study of implies that thermodynamic formulae should be carefully chosen in VC approach so as to avoid these anomalies.
The critical temperatures of the Ising model in square and simple cubic lattices are derived with the variational-cumulant expansion approach to the seventh order. An extrapolating method is proposed to predict the critical temperature of infinite series according to the finite order expansion, at which a weighted fitting method is used. For the 2-dimensional Ising model, the critical temperature obtained by this method is in a deviation of 0.04% compared with the exact value, and the estimated results are robust for different order prediction. The critical temperature for the 3D Ising model is predicted as 4.490.
To study the variational-cumulant expansion (VCE) method, the 2-dimensional Ising model has been selected. The model is evaluated to the sixth order approximation with a scheme for the enumeration of connected diagrams. The internal energy , specific heat and spontaneous magnetization have been calculated. A comparison with the exact results shows that thermodynamic and magnetic quantities converge to the exact values rather quickly and the position of phase transition point approaches to the exact pointstand order by order.
Following the approach recently proposed by Lin, Che, and Xia [Phys. Rev. A 46, 1805 (1992)], we calculate the critical temperature Tc{\mathit{T}}_{\mathit{c}}Tc​ for Ising films with lattice structures other than simple cubic by means of the variational cumulant expansion (VCE) of the free energy of the spin system. The critical temperature is derived in terms of the ratio of two successive cumulants to an arbitrary order of accuracy. Since the cumulant of any order m can be calculated analytically by a graphic method, analytical expressions of Tc{\mathit{T}}_{\mathit{c}}Tc​ can be derived, in principle, as functions of the number L of spin layers in the film to an arbitrary order of accuracy in the VCE. We describe the graphic method in great detail in this paper, and calculate Tc{\mathit{T}}_{\mathit{c}}Tc​ up to the fourth-order cumulant for films of body-centered-cubic lattice and to the third order for films of face-centered-cubic lattice. Our results show that in the limit of L\ensuremath{\rightarrow}\ensuremath{\infty}, Tc{\mathit{T}}_{\mathit{c}}Tc​ approaches the corresponding bulk value rather quickly with increasing m in both cases.