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Journal of Applied Physics

Effective field model for Ising ferromagnets: Influence of triplet correlations

G. Bruce Taggart

Published Mar 1, 1982• 5 citations
Publisher

Abstract

We use an effective field model which explicitly incorporates correlations to determine the critical temperatures for Ising ferromagnets on the common lattices. We specifically retain only the first nontrivial odd correlation function, i.e., the triplet correlation function, while neglecting higher order correlations. Within this approximation, assuming the equivalence of triplet correlations involving both central and noncentral sites in the nearest neighbor cluster yields values for the critical temperature below the Bethe approximations for z⩾4. Likewise, assuming the inequivalence of triplet correlations involving the central and noncentral sites yields values of the critical temperature only slightly higher than the Bethe approximation for z⩾4. For lattices with four- and six-fold coordination this equivalence and inequivalence of triplet correlation functions is sufficient to cause the critical temperatures to approach their two- and three-dimensional values. For instance, for quadratic lattices we obtain values for the critical temperature of 2.5284 and 2.9796 as compared to the exact and series results of 2.2692 and 2.7044 for the simple quadratic and diamond lattices, respectively, and the Bethe approximation of 2.8854.

DOI
10.1063/1.330664

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The theory of the correlations and critical scattering of two- and three-dimensional nearest-neighbor Ising models is discussed critically. A distinction is drawn between $\ensuremath{\kappa}(T)$, the true inverse range of exponential decay of the correlations, and ${\ensuremath{\kappa}}_{1}(T)$, the effective range determined from the low-angle scattering intensity. Ten to eleven terms of appropriate high-temperature series exapnsions for $\ensuremath{\kappa}$ and ${\ensuremath{\kappa}}_{1}$ are determined for the square and simple cubic lattices, and shorter series are given for the triangular, fcc, and bcc lattices. For the former lattices, the complete correlation expansions are obtained to the same order. It is shown that $\ensuremath{\kappa}$ and ${\ensuremath{\kappa}}_{1}$ vary as ${(T\ensuremath{-}{T}_{0})}^{\ensuremath{\nu}}$ when $T\ensuremath{\rightarrow}{T}_{c}$, with $\ensuremath{\nu}=1$ for dimensionality $d=2$, but $\ensuremath{\nu}=0.6430\ifmmode\pm\else\textpm\fi{}0.0025\ensuremath{\simeq}\frac{9}{14}$ for $d=3$. The asymptotic decay of correlation at $T={T}_{c}$ is found to be $\frac{1}{{r}^{d\ensuremath{-}2+\ensuremath{\eta}}}$, where $\ensuremath{\eta}$ is related to the exponent $\ensuremath{\gamma}$ of the divergence of the susceptibility by $(2\ensuremath{-}\ensuremath{\eta})\ensuremath{\nu}=\ensuremath{\gamma}$, Numerical values are $\ensuremath{\eta}=\frac{1}{4}$ for $d=2$ and $\ensuremath{\eta}=0.056\ifmmode\pm\else\textpm\fi{}0.008\ensuremath{\simeq}\frac{1}{18} \mathrm{for} d=3$. The relative scattering intensity $\stackrel{^}{\ensuremath{\chi}}$ as a function of wave number k is given to high accuracy for all $T>~{T}_{c}$ by $\stackrel{^}{\ensuremath{\chi}}(\mathbf{k},T)\ensuremath{\simeq}\left(\frac{a}{{r}_{1}}\right)\frac{^{2\ensuremath{-}\ensuremath{\eta}}[{({\ensuremath{\kappa}}_{1}a)}^{2}+{\ensuremath{\varphi}}^{2}{a}^{2}{K}^{2}(\mathbf{k})]^{\frac{\ensuremath{\eta}}{2}}}{[{({\ensuremath{\kappa}}_{1}a)}^{2}+\ensuremath{\psi}{a}^{2}{K}^{2}(\mathbf{k})]},$ where (i) $a$ is the lattice spacing, (ii) ${a}^{2}{K}^{2}=2d[1\ensuremath{-}{q}^{\ensuremath{-}1}\ensuremath{\Sigma}\mathrm{exp}(i\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{r})]\ensuremath{\simeq}{(\mathrm{ka})}^{2}$, the sum being over the $q$ nearest-neighbor lattice sites, (iii) ${r}_{1}(T)$ is a slowly-varying decreasing function near ${T}_{c}$, (iv) $\ensuremath{\psi}=1+\frac{1}{2}\ensuremath{\eta}{\ensuremath{\varphi}}^{2}$, and $(\mathrm{v}) \ensuremath{\varphi}(T)$ is slowly varying with a magnitude at ${T}_{c}$ of 0.03 for $d=2$ and of 0.06 to 0.09 for $d=3$. Explicit formulas are given for ${\ensuremath{\kappa}}_{1}$, ${r}_{1}$, and $\ensuremath{\varphi}$ as functions of $T$. The correlations and the scattering are isotropic near ${T}_{c}$. The critical scattering isotherm is curved for low $k$ according to ${\stackrel{^}{\ensuremath{\chi}}}^{\ensuremath{-}1}\ensuremath{\sim}{k}^{2\ensuremath{-}\ensuremath{\eta}}$ and it intersects the isotherms for $T>{T}_{c}$. Correspondingly, $\stackrel{^}{\ensuremath{\chi}}(\mathbf{k},T)$ exhibits a maximum for fixed k, at a temperature above ${T}_{c}$; for $d=2$ the maxima are very well marked, but for $d=3$ they are smaller and occur closer to ${T}_{c}$. The theory is compared favorably with recent neutron-scattering experiments on pure beta-brass.

Physical Review•Apr 10, 1967•753 citations
We use an effective field model which explicitly incorporates correlations to determine the critical temperatures for Ising ferromagnets on the common lattices. We specifically retain only the first nontrivial odd correlation function, i.e., the triplet correlation function, while neglecting higher order correlations. Within this approximation, assuming the equivalence of triplet correlations involving both central and noncentral sites in the nearest neighbor cluster yields values for the critical temperature below the Bethe approximations for z⩾4. Likewise, assuming the inequivalence of triplet correlations involving the central and noncentral sites yields values of the critical temperature only slightly higher than the Bethe approximation for z⩾4. For lattices with four- and six-fold coordination this equivalence and inequivalence of triplet correlation functions is sufficient to cause the critical temperatures to approach their two- and three-dimensional values. For instance, for quadratic lattices we obtain values for the critical temperature of 2.5284 and 2.9796 as compared to the exact and series results of 2.2692 and 2.7044 for the simple quadratic and diamond lattices, respectively, and the Bethe approximation of 2.8854.
Using the techniques introduced by Honmura and Kaneyoshi, we show that two sets of identities for the two-state Ising model with zzz nearest neighbors can be used as a basis for various approximation schemes which can systematically include correlation effects. In one dimension the results in zero field are exact for the magnetization, nearest-neighbor correlation function, and critical temperature. By neglecting correlations of more than three sites we introduce a simple approximation in two and three dimensions for the critical temperature. This simple approximation yields results which improve on those of the Bethe approximation. We discuss how the approximation may be improved and extended to other Ising problems.
The system of two polynomial equations is derived for direct simultaneous determination of the critical temperatures of the spin-1 Ising model on lattices with arbitrary values of the coordination number in the single-site cluster effective field theory approximation. Analysis of the critical temperatures allows to determine simple linear function 2z/3−1/2 that approximates the critical temperatures of the model with very high precision for all values of the coordination number z. It is demonstrated that the system of two equations for the critical temperatures of the model can be reduced to the corresponding single equation in the cases with z=3,4, and 5. In addition, the system of entirely algebraic polynomial equations for the determination of the spontaneous magnetization of the model simultaneously for all values of the coordination number is also derived and discussed.
We propose a method to incorporate pair correlations of an Ising lattice system in molecular field theory to higher orders. The theory is applied to ferromagnetism, where a system of equations is obtained for the response function (here the susceptibility). We obtain important corrections on the Weiss model and the spherical model. This is illustrated by an explicit calculation of the critical temperature and the spurious phase, appearing for T>TcT>{T}_{c}T>Tc​, near the critical point in the case of a simple cubic lattice.
Within a new type of correlated-effective-field theory we calculate the effective-field parameters (including their response to external field), critical temperatures, susceptibility, short-range order parameters, and specific heat associated with an anisotropic, square-lattice, spin-\textonehalf{} Ising ferromagnet. The present formalism, which is shown to recover the Bethe-Peierls thermodynamics for the pure ZZZ-coordinated-lattice, spin-\textonehalf{} Ising model, yields satisfactory results; in particular, the crossover from a pure Ising ferromagnet on a square lattice to that on a linear chain is reasonably exhibited in the behavior of the susceptibility and the specific heat.
Two properties of the Ising model are considered. Firstly, by extrapolating appropriate series expansions, the spontaneous magnetization of a ferromagnet for three-dimensional lattices is obtained. From the results accurate values for the critical temperature are found. Secondly, the high temperature susceptibility of an antiferromagnet is derived from the approximation of Kikuchi. The resulting susceptibility curves show that for loose-packed lattices a maximum value occurs at a temperature slightly above the critical point, while for the close-packed lattices no such effect is obtained.
The theory of the correlations and critical scattering of two- and three-dimensional nearest-neighbor Ising models is discussed critically. A distinction is drawn between $\ensuremath{\kappa}(T)$, the true inverse range of exponential decay of the correlations, and ${\ensuremath{\kappa}}_{1}(T)$, the effective range determined from the low-angle scattering intensity. Ten to eleven terms of appropriate high-temperature series exapnsions for $\ensuremath{\kappa}$ and ${\ensuremath{\kappa}}_{1}$ are determined for the square and simple cubic lattices, and shorter series are given for the triangular, fcc, and bcc lattices. For the former lattices, the complete correlation expansions are obtained to the same order. It is shown that $\ensuremath{\kappa}$ and ${\ensuremath{\kappa}}_{1}$ vary as ${(T\ensuremath{-}{T}_{0})}^{\ensuremath{\nu}}$ when $T\ensuremath{\rightarrow}{T}_{c}$, with $\ensuremath{\nu}=1$ for dimensionality d=2d=2d=2, but $\ensuremath{\nu}=0.6430\ifmmode\pm\else\textpm\fi{}0.0025\ensuremath{\simeq}\frac{9}{14}$ for d=3d=3d=3. The asymptotic decay of correlation at T=TcT={T}_{c}T=Tc​ is found to be $\frac{1}{{r}^{d\ensuremath{-}2+\ensuremath{\eta}}}$, where $\ensuremath{\eta}$ is related to the exponent $\ensuremath{\gamma}$ of the divergence of the susceptibility by $(2\ensuremath{-}\ensuremath{\eta})\ensuremath{\nu}=\ensuremath{\gamma}$, Numerical values are $\ensuremath{\eta}=\frac{1}{4}$ for d=2d=2d=2 and $\ensuremath{\eta}=0.056\ifmmode\pm\else\textpm\fi{}0.008\ensuremath{\simeq}\frac{1}{18} \mathrm{for} d=3$. The relative scattering intensity $\stackrel{^}{\ensuremath{\chi}}$ as a function of wave number k is given to high accuracy for all T> TcT>~{T}_{c}T> Tc​ by $\stackrel{^}{\ensuremath{\chi}}(\mathbf{k},T)\ensuremath{\simeq}\left(\frac{a}{{r}_{1}}\right)\frac{^{2\ensuremath{-}\ensuremath{\eta}}[{({\ensuremath{\kappa}}_{1}a)}^{2}+{\ensuremath{\varphi}}^{2}{a}^{2}{K}^{2}(\mathbf{k})]^{\frac{\ensuremath{\eta}}{2}}}{[{({\ensuremath{\kappa}}_{1}a)}^{2}+\ensuremath{\psi}{a}^{2}{K}^{2}(\mathbf{k})]},$ where (i) aaa is the lattice spacing, (ii) ${a}^{2}{K}^{2}=2d[1\ensuremath{-}{q}^{\ensuremath{-}1}\ensuremath{\Sigma}\mathrm{exp}(i\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{r})]\ensuremath{\simeq}{(\mathrm{ka})}^{2}$, the sum being over the qqq nearest-neighbor lattice sites, (iii) r1(T){r}_{1}(T)r1​(T) is a slowly-varying decreasing function near Tc{T}_{c}Tc​, (iv) $\ensuremath{\psi}=1+\frac{1}{2}\ensuremath{\eta}{\ensuremath{\varphi}}^{2}$, and $(\mathrm{v}) \ensuremath{\varphi}(T)$ is slowly varying with a magnitude at Tc{T}_{c}Tc​ of 0.03 for d=2d=2d=2 and of 0.06 to 0.09 for d=3d=3d=3. Explicit formulas are given for ${\ensuremath{\kappa}}_{1}$, r1{r}_{1}r1​, and $\ensuremath{\varphi}$ as functions of TTT. The correlations and the scattering are isotropic near Tc{T}_{c}Tc​. The critical scattering isotherm is curved for low kkk according to ${\stackrel{^}{\ensuremath{\chi}}}^{\ensuremath{-}1}\ensuremath{\sim}{k}^{2\ensuremath{-}\ensuremath{\eta}}$ and it intersects the isotherms for T>TcT>{T}_{c}T>Tc​. Correspondingly, $\stackrel{^}{\ensuremath{\chi}}(\mathbf{k},T)$ exhibits a maximum for fixed k, at a temperature above Tc{T}_{c}Tc​; for d=2d=2d=2 the maxima are very well marked, but for d=3d=3d=3 they are smaller and occur closer to Tc{T}_{c}Tc​. The theory is compared favorably with recent neutron-scattering experiments on pure beta-brass.