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Physical Review A

Method of analysis of critical-point singularities from power-series expansions

Gustavo A. Arteca, Francisco Marcelo Fernández, Eduardo Alberto Castro

Published Feb 1, 1986• 7 citations
Publisher

Abstract

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.

DOI
10.1103/physreva.33.1297

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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.
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
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.
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 $\ensuremath{\Delta}\ensuremath{\le}{\ensuremath{\Delta}}^{\ensuremath{'}}$, $\ensuremath{\gamma}\ensuremath{\le}{\ensuremath{\gamma}}^{\ensuremath{'}}$.
We derive low-temperature series (in the variable ) for the spontaneous magnetization, susceptibility, and specific heat of the spin-S Ising model on the square lattice for , 2, , and 3. We determine the location of the physical critical point and non-physical singularities. The number of non-physical singularities closer to the origin than the physical critical point grows quite rapidly with S. The critical exponents at the singularities which are closest to the origin and for which we have reasonably accurate estimates are independent of S. Due to the many non-physical singularities, the estimates for the physical critical point and exponents are poor for higher values of S, though consistent with universality.
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.