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Journal of Physics A Mathematical and General

The calculation of critical indices by the rational approximation method

Robert T. Baumel, J. L. Gammel, J. Nuttall, D C Power

Published Oct 1, 1982• 5 citations
Publisher

Abstract

A new method of calculating critical indices from series expansions is given. The method involves rational approximation with a denominator chosen so that the effect of singularities other than the critical one is minimised. The method suggests that the index for the low-temperature spontaneous magnetisation in the spin- 1 / 2 Ising model may be 0.323+or-0.003 for both BCC and FCC lattices.

DOI
10.1088/0305-4470/15/10/027

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Journal of Physics A Mathematical and General•Aug 1, 1980•8 citations
A new method of calculating critical indices from series expansions is given. The method involves rational approximation with a denominator chosen so that the effect of singularities other than the critical one is minimised. The method suggests that the index for the low-temperature spontaneous magnetisation in the spin- 1 / 2 Ising model may be 0.323+or-0.003 for both BCC and FCC lattices.
First, a new method proposed by Baker and Rushbrooke is used to study the simple ferromagnetic Ising model at and below the Curie temperature. Of course, the properties of the Ising model are already well known, so that the main aim here is to assess the potential and reliability of the new method, since it has wide applicability to other models which have not been otherwise studied. Between 8 and 16 coefficients of exact high-temperature expansions for fixed values of the magnetization are derived for various two- and three-dimensional lattices. A Pad\'e-approximant analysis of these expansions at the critical isotherm and magnetic phase boundary enables us to estimate the critical exponents $\ensuremath{\beta}$, ${\ensuremath{\gamma}}^{\ensuremath{'}}$, and $\ensuremath{\delta}$, and plot the spontaneous magnetization. The results are in good agreement with previous calculations. Secondly, an analysis of the exact series expansions provides no support for the conjecture that the phase boundary is a line of essential singularities. However, the same expansions strongly suggest the existence of a "spinodal" curve, whose properties are in reasonable agreement with the predictions of various heuristic arguments (based essentially upon analyticity at the phase boundary and one-phase homogeneity in the critical region). Finally, structure and a mild extension of the proven analyticity of the free energy are used to show the $\ensuremath{\Delta}\ensuremath{\le}{\ensuremath{\Delta}}^{\ensuremath{'}}$, $\ensuremath{\gamma}\ensuremath{\le}{\ensuremath{\gamma}}^{\ensuremath{'}}$.
Series expansions for certain thermodynamic variables have been computed for various standard model lattices. The high-temperature series for the magnetic susceptibility of the Ising model of three-dimensional SC, BCC and FCC lattices allows estimates of the critical index gamma of each series to be made. Dramatic progress in this direction was made by the Pade Dlog method, and here a similar technique is introduced. Estimates of gamma from row sequences of generalised inverse vector-valued Pade approximants are made. The results point to the conclusion that gamma =1.2406+or-0.0017 is the critical index common to all three lattices.
The finite-lattice method of series expansion has been used to extend low-temperature series for the partition function, order parameter and susceptibility of the spin-1 Ising model on the square lattice. A new formalism is described which uses two distinct transfer-matrix approaches in order to significantly reduce computer memory requirements and which permits the derivation of the series to 79th order. Subsequent analysis of the series clearly confirms that the spin-1 model has the same dominant critical exponents as the spin- 1/2 Ising model. Accurate estimates for both the critical temperature and non-physical singularities are obtained. In addition, evidence for a non-analytic confluent correction with exponent Delta 1 =1.1+or-0.1 is found.
In recent years there have been many measurements of the scaling-law equation of state for different materials, and the "scaling function" so obtained has generally been fit by an empirical equation involving the selection of several adjustable parameters. We propose a method for calculating, directly from high-temperature series expansions, the function h(x)h(x)h(x) that determines the scaling-law equation of state $H={M}^{\ensuremath{\delta}}h(x)$. Previously, h(x)h(x)h(x) has been calculated only for the S=12S=\frac{1}{2}S=21​ Ising model, but the method is not generalizable to the case of the Heisenberg model because it relies upon the use of low-temperature expansions as well, and these are not known for the Heisenberg model. First we calculate h(x)h(x)h(x) for the Ising model (bcc, fcc, and simple cubic lattices) in order to assess the utility and credibility of our method. Our Ising model h(x)h(x)h(x) agrees well with the previous calculation that used both high-and low-temperature expansions. Next we calculate h(x)h(x)h(x) in its entire region of definition for the S=12S=\frac{1}{2}S=21​ Heisenberg model (fcc and bcc lattices) and the $S=\ensuremath{\infty}$ Heisenberg models (fcc lattice), where SSS denotes the spin quantum number. The accuracy of our resulting expressions is limited by the finite number of known terms in the corresponding high-temperature series expansions, but it is generally of the order of a few percent. In Paper II the scaling functions calculated here are compared with experiment and with the predictions of the universality hypothesis.
Starting from the high-temperature series for the susceptibility of the spin- 1 / 2 ferromagnetic Ising models-square, planar triangular, SC, BCC, FCC, diamond, and HSC in four, five and six dimensions-the authors analyse the analytical structure near the critical point of the susceptibility by writing it as a Laplace transform in the variable log (1-w/w c ), where w=tanh( beta J). The interest of the method is that the coalescing singularities which sit at w=w c are spread out and can be analysed separately, the first subdominant critical indices, appearing as stable poles of Pade approximants. They first recover the results for the two-dimensional models, with a high accuracy: gamma =1.74995 and gamma s =0.757. The most stable results in three dimensions are obtained for the diamond lattice: gamma =1.2506+or-0.0015 and gamma s =0.42+or-0.11. The other lattices give 0.10< gamma s <0.52. However, in all three-dimensional cases the amplitude of the subdominant singularity is less than a few per cent of the leading one. Therefore the uncertainties are large, but the subdominant singularity stays closer to the value Gamma -1=0.25 than to the field theoretical predicted one gamma s =0.75.