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Physical review. B, Solid state

Methods of Series Analysis. II. Generalized and Extended Methods with Application to the Ising Model

George Allen Baker Jr., D. L. Hunter

Published Apr 1, 1973• 111 citations
Publisher

Abstract

Several new general methods of series analysis are introduced and tested on an assortment of known functions. These methods are then applied to several of the series expansions known for the thermodynamic properties of the spin-\textonehalf{} Ising model. We are able to obtain an unbiased analysis of the high-temperature specific-heat singularity, and find $\ensuremath{\alpha}\ensuremath{\approx}0.13\ifmmode\pm\else\textpm\fi{}0.01$. The application of our methods in other cases generally agrees with that of previous workers. Our methods in practice amount to procedures for looking more closely at the dominant singularity, at the expense of accuracy for competing singularities. For certain types of function, thought to occur in the study of critical phenomena, our methods are noticeably more effective than those previously employed.

DOI
10.1103/physrevb.7.3377

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arXiv:hep-lat/9410005•Journal of Physics A Mathematical and General•Nov 7, 1994•49 citations
Several new general methods of series analysis are introduced and tested on an assortment of known functions. These methods are then applied to several of the series expansions known for the thermodynamic properties of the spin-\textonehalf{} Ising model. We are able to obtain an unbiased analysis of the high-temperature specific-heat singularity, and find \ensuremathα\ensuremath≈0.13\ifmmode±\else\textpm\fi0.01\ensuremath{\alpha}\ensuremath{\approx}0.13\ifmmode\pm\else\textpm\fi{}0.01\ensuremathα\ensuremath≈0.13\ifmmode±\else\textpm\fi0.01. The application of our methods in other cases generally agrees with that of previous workers. Our methods in practice amount to procedures for looking more closely at the dominant singularity, at the expense of accuracy for competing singularities. For certain types of function, thought to occur in the study of critical phenomena, our methods are noticeably more effective than those previously employed.
A simple method is proposed for determining characteristic parameters of critical-point singularities from power-series expansions. It applies to a broad class of functions of physical interest and provides acceptable, simultaneous approximations to the critical point, exponent, and amplitude. Several examples of low- and high-temperature series expansions for thermodynamic properties of spin-(1/2) Ising models are studied, and quite accurate results are obtained for both close- and loose-packed arrays.
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 $\ensuremath{\Delta}\ensuremath{\le}{\ensuremath{\Delta}}^{\ensuremath{'}}$, $\ensuremath{\gamma}\ensuremath{\le}{\ensuremath{\gamma}}^{\ensuremath{'}}$.
The use of series expansions to determine the nature of critical point singularities, especially the values of the critical exponents, is reviewed.Ratio techniques, based on extrapolation of the ratios of successive expansion coefficients, and Padé approximant methods, utilizing logarithmic derivatives, are explained, illustrated, and compared. Introduction.In this lecture I will survey briefly the phenomena observed near the critical point of a system.The range of behavior is very varied and we shall only examine one or two typical examples.The main aim will be to establish the existence of the so-called "critical point exponents" which describe the nature of the mathematical singularities exhibited by the different thermodynamic functions as the critical point is approached.The theory of these singularities may be developed via suitable statistical-mechanical models which, while caricatures of a realistic physical system, retain such vital features as the dimensionality of space, the finite range of the interactions, and certain basic symmetry properties.These models in turn are usually intractable as regards exact mathematical analysis.However, general methods can be developed which yield power series expansions for many functions of interest; frequently between 8 to 30 leading coefficients of such power series can be obtained.The problem is then a numerical one of extrapolating the series in such a way as to estimate the nature of the particular critical point singularity and the behavior of the function in its vicinity.I will show how this can, in favorable cases, be handled by studying the ratios of successive expansion coefficients.The method was pioneered by Domb and his coworkers, especially Sykes and Fisher [1], [2].The reliability of the techniques can be tested against the relatively few closed form mathematical results, in particular, Onsager's renowned solution of the two-dimensional Ising models [3].In less favorable examples this approach fails, and then, as first demonstrated by Baker [3], Padé approximants have a vital role to play.In a number of important cases the intelligent application of Padé approximants has been strikingly successful [3], [4].Such techniques have thus established a central place for themselves in the
Earlier studies of the simple Ising model have been extended and the techniques applied to a variety of multistate and multispin models. Briefly presented is the authors' research results in which they have developed methods for the derivation of series developments for the Potts model, for which one of the most interesting questions is the order of the transition, for Ising models with four-spin interactions (including the eight-vertex model) and the three-spin triangular Ising model. For the three-spin triangular Ising model it has been found possible to conjecture the exact form of the spontaneous magnetisation. They have also continued to study the general cluster expansion for the high temperature specific heat of the Ising model of a ferromagnet. High field expansions have been derived for the Ising model on the hydrogen peroxide lattice. The exploration of the size and shape of polymer chains using insight gained from critical phenomena has continued.
Describes the development of high-temperature series expansions for general mixed spin-S-spin-S' Ising models on simple loose-packed lattices. It extends previous work on the simpler special case S'=1/2. Coefficients of the series for the initial susceptibility and specific heat of these models on the square, SC and BCC lattices are presented. A preliminary analysis of the results for the particular case S=1, S'=3/2 is given, and the critical ratio K c and the susceptibility exponent gamma are estimated.
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.