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Physical review. B, Condensed matter

Three-dimensional axial next-nearest-neighbor Ising model: A series investigation

Z. Mo, Martin V. Ferer

Published May 1, 1991• 17 citations
Publisher

Abstract

We have derived a twelfth-order, high-temperature series for the axial next-nearest-neighbor Ising (ANNNI) models on the fcc and the sc lattices, and we present detailed results for one of the fcc models. We have determined the phase boundaries of these models and located the Lifshitz point from the intersection of the phase boundary with the ``disorder'' line, where the maximum in the susceptibility \ensuremath{\chi}(q) begins to occur at nonzero q signaling the onset of modulated correlations. As expected, the Lifshitz point appears to be an inflection point of the phase boundary. The effective susceptibility index shows the predicted universal values for definite regions of the parameter space, e.g., XY-like in the midrange modulated regime, with the expected smooth crossover near the multicritical points. Throughout the modulated regime from the Lifshitz point to the decoupling point, the variation in the critical wave vector shows only small deviations from mean-field predictions. Our best estimates for the Lifshitz-point indices, ${\ensuremath{\gamma}}_{\mathit{l}}$=1.62\ifmmode\pm\else\textpm\fi{}0.12, 4${\ensuremath{\nu}}_{\mathit{l}4}$=1.63\ifmmode\pm\else\textpm\fi{}0.10, and ${\mathrm{\ensuremath{\alpha}}}_{\mathit{l}}$=0.20\ifmmode\pm\else\textpm\fi{}0.15, differ from previous estimates. We are confident that our estimates are more reliable not only because we have longer series for a close-packed lattice but also primarily because we have analyzed our series along the appropriate scaling direction.

DOI
10.1103/physrevb.43.10890

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Fredric Harbus, Eugene Stanley

The nnn model is an Ising model with nearest-neighbor antiferromagnetic interactions (${J}_{1}<0$) but also next-nearest-neighbor ferromagnetic exchange (${J}_{2}>0$). This model is analyzed in external magnetic field using the same techniques as applied to the meta model of Paper I. Again, the staggered susceptibility ${\ensuremath{\chi}}_{\mathrm{st}}$ appears to diverge along the critical line in the $H\ensuremath{-}T$ plane with a constant exponent ${\ensuremath{\gamma}}_{\mathrm{st}}=\frac{5}{4}$, consistent with the universality hypothesis. However, in contrast to the meta model, it is found that the direct susceptibility $\ensuremath{\chi}$ diverges at the tricritical point with an exponent $\overline{\ensuremath{\gamma}}\ensuremath{\simeq}\frac{1}{4}$. Implications of the scaling hypothesis at the tricritical point are discussed and the results for both the meta and nnn models are utilized to obtain the scaling power ${\overline{a}}_{2}$ corresponding to the "weak" direction (in the sense of Griffiths and Wheeler). Included in this discussion is the double-power-law form, predicted to hold within the crossover region by tricritical-point scaling.

Physical review. B, Solid state•Aug 1, 1973•41 citations

Scaling with Respect to a Parameter for the Gibbs Potential and Pair Correlation Function of the S=12 Ising Model with Lattice Anisotropy

Richard Krasnow, Fredric Harbus, Luke Lokia Liu +1 more

Series for the reduced susceptibility $\overline{\ensuremath{\chi}}$, the reduced specific heat ${\overline{C}}_{H}$, and second moment ${\ensuremath{\mu}}_{2}$ of the static correlation function for the three-dimensional $S=\frac{1}{2}$ Ising model on both the simple cubic (sc) and face-centered cubic (fcc) lattices with different coupling strengths in different lattice directions have been analyzed to determine the crossover exponent $\ensuremath{\phi}$ describing the behavior of the critical temperature as a function of the anisotropy parameter $R$ in the Hamiltonian $\mathcal{H}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j}\ensuremath{\equiv}\ensuremath{-}{J}_{\mathrm{xy}}(\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}+R\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j})$. Here ${s}_{i}=+1$, the first sum is over all nearest-neighbor pairs in the $\mathrm{xy}$ plane, and the second sum is over all pairs coupled in the $z$ direction. The constant gap exponent we obtain for successive derivatives of $\overline{\ensuremath{\chi}}$ and ${\overline{C}}_{H}$ with respect to $R$ confirms the exponent predictions of scaling in the parameter $R$ for thermodynamic functions, while the results of the ${\ensuremath{\mu}}_{2}$ series confirm the exponent predictions of scaling with respect to $R$ for the two-spin correlation function. Our results agree with the predictions for $\ensuremath{\phi}$ of Abe and Suzuki, and also with rigorous relations satisfied by the exponents describing the derivatives of the various functions. Our results do not agree with previously published results, which are based on an analysis of only the susceptibility on only the sc lattice.

Physical review. B, Solid state•Jan 1, 1973•39 citations

Theory of Critical-Point Scattering and Correlations. I. The Ising Model

Michael Ellis Fisher, Robert J. Burford

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

Time-dependent Monte Carlo simulations of critical and Lifshitz points of the axial-next-nearest-neighbor Ising model

Roberto da Silva, Nelson A. Alves, J. R. Drugowich de Felício

In this work, we study the critical behavior of second-order points, specifically the Lifshitz point (LP) of a three-dimensional Ising model with axial competing interactions [the axial-next-nearest-neighbor Ising (ANNNI) model], using time-dependent Monte Carlo simulations. We use a recently developed technique that helps us localize the critical temperature corresponding to the best power law for magnetization decay over time: ${\ensuremath{\langle}M\ensuremath{\rangle}}_{{m}_{0}=1}\ensuremath{\sim}{t}^{\ensuremath{-}\ensuremath{\beta}/\ensuremath{\nu}z}$, which is expected of simulations starting from initially ordered states. We obtain original results for the dynamic critical exponent $z$, evaluated from the behavior of the ratio ${F}_{2}(t)={\ensuremath{\langle}{M}^{2}\ensuremath{\rangle}}_{{m}_{0}=0}/{\ensuremath{\langle}M\ensuremath{\rangle}}_{{m}_{0}=1}^{2}\ensuremath{\sim}{t}^{3/z}$, along the critical line up to the LP. We explore all the critical exponents of the LP in detail, including the dynamic critical exponent $\ensuremath{\theta}$ that characterizes the initial slip of magnetization and the global persistence exponent ${\ensuremath{\theta}}_{g}$ associated with the probability $P(t)$ that magnetization keeps its signal up to time $t$. Our estimates for the dynamic critical exponents at the Lifshitz point are $z=2.34(2)$ and ${\ensuremath{\theta}}_{g}=0.336(4)$, values that are very different from those of the three-dimensional Ising model (the ANNNI model without the next-nearest-neighbor interactions at the $z$ axis, i.e., ${J}_{2}=0$), i.e., $z\ensuremath{\approx}2.07$ and ${\ensuremath{\theta}}_{g}\ensuremath{\approx}0.38$. We also present estimates for the static critical exponents $\ensuremath{\beta}$ and $\ensuremath{\nu}$, obtained from extended time-dependent scaling relations. Our results for static exponents are in good agreement with previous works.

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General- R High-Temperature Series for the Susceptibility, Second Moment, and Specific Heat of sc and fcc Ising Models with Lattice Anisotropy

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Of particular current interest is the critical behavior of functions on crossing over from one lattice dimensionality to another. To this end, we report high-temperature series for an Ising model with lattice anisotropy-i.e., with different exchange constants for different lattice directions. The Hamiltonian is ${\mathcal{H}}_{l,\mathrm{anis}}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j}\ensuremath{\equiv}\ensuremath{-}{J}_{\mathrm{xy}}(\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}+R\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j})$ where ${s}_{i}=\ifmmode\pm\else\textpm\fi{}1$, the first summation is over all nearest-neighbor pairs in the $\mathrm{xy}$ plane, and the second sum is over pairs coupled in the $z$ direction. The susceptibility, second moment, and specific-heat series are explicitly presented for arbitrary ${J}_{\mathrm{xy}}$ and ${J}_{z}$ for the simple cubic (sc) and face-centered cubic (fcc) lattices to tenth order in inverse temperature. The general-$R$ series are essential if one wishes to study the Riedel-Wegner crossover exponent appropriate to changing lattice dimensionality, since for $R\ensuremath{\equiv}\frac{{J}_{z}}{{J}_{\mathrm{xy}}}=0$, both the sc and fcc lattices reduce to two-dimensional square lattices, while in the limit $R\ensuremath{\rightarrow}\ensuremath{\infty}$, the sc reduces to noninteracting linear chains.

Physical review. B, Solid state•Jan 1, 1973•33 citations

Partial Test of the Universality Hypothesis: The Case of Different Coupling Strengths in Different Lattice Directions

Gerald Paul, Eugene Stanley

High-temperature series expansions are used to examine the dependence of critical-point exponents upon lattice anisotropy (different interaction strengths in different directions in the lattice). The two-spin correlation function ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ is calculated to tenth order in ($\frac{1}{{k}_{B}T}$) for the Ising Hamiltonian ${\mathcal{H}}_{l \mathrm{anis}}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}\stackrel{\mathrm{xy}}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}\stackrel{z}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}$ for a wide range of anisotropy parameters $R\ensuremath{\equiv}\frac{{J}_{z}}{{J}_{\mathrm{xy}}}$ and for both the sc and fcc lattices; here the first summation is over all pairs of nearest-neighbor sites whose relative displacement vector ${\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{\mathrm{ij}}$ has no $z$ component, while the second summation is over all other pairs of nearest-neighbor sites. Hence for $R=0$, both the sc and fcc lattices reduce to the two-dimensional square lattice, while in the limit $R\ensuremath{\rightarrow}\ensuremath{\infty}$, the sc becomes a one-dimensional linear chain and the fcc becomes two noninteracting three-dimensional bcc lattices. The series for ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ are then used to obtain series of corresponding lengths for the specific heat, susceptibility, and second moment. Analysis of these series yields results consistent with the universality hypothesis of critical-point exponents. Specifically, it is found that when lattice anisotrophy is introduced, the critical-point exponents studied (the susceptibility exponent $\ensuremath{\gamma}$ and the correlation length exponent $\ensuremath{\nu}$) do not appear to change from their values for an isotropic lattice. The problem of next-nearest-neighbor interactions is treated using similar methods in Paper II of this series (and briefly discussed in this paper).

Physical review. B, Solid state•Apr 1, 1972•56 citations
We have derived a twelfth-order, high-temperature series for the axial next-nearest-neighbor Ising (ANNNI) models on the fcc and the sc lattices, and we present detailed results for one of the fcc models. We have determined the phase boundaries of these models and located the Lifshitz point from the intersection of the phase boundary with the ``disorder'' line, where the maximum in the susceptibility \ensuremath{\chi}(q) begins to occur at nonzero q signaling the onset of modulated correlations. As expected, the Lifshitz point appears to be an inflection point of the phase boundary. The effective susceptibility index shows the predicted universal values for definite regions of the parameter space, e.g., XY-like in the midrange modulated regime, with the expected smooth crossover near the multicritical points. Throughout the modulated regime from the Lifshitz point to the decoupling point, the variation in the critical wave vector shows only small deviations from mean-field predictions. Our best estimates for the Lifshitz-point indices, \ensuremathγl{\ensuremath{\gamma}}_{\mathit{l}}\ensuremathγl​=1.62\ifmmode\pm\else\textpm\fi{}0.12, 4\ensuremathνl4{\ensuremath{\nu}}_{\mathit{l}4}\ensuremathνl4​=1.63\ifmmode\pm\else\textpm\fi{}0.10, and \ensuremathαl{\mathrm{\ensuremath{\alpha}}}_{\mathit{l}}\ensuremathαl​=0.20\ifmmode\pm\else\textpm\fi{}0.15, differ from previous estimates. We are confident that our estimates are more reliable not only because we have longer series for a close-packed lattice but also primarily because we have analyzed our series along the appropriate scaling direction.
The nnn model is an Ising model with nearest-neighbor antiferromagnetic interactions (J1<0{J}_{1}<0J1​<0) but also next-nearest-neighbor ferromagnetic exchange (J2>0{J}_{2}>0J2​>0). This model is analyzed in external magnetic field using the same techniques as applied to the meta model of Paper I. Again, the staggered susceptibility ${\ensuremath{\chi}}_{\mathrm{st}}$ appears to diverge along the critical line in the $H\ensuremath{-}T$ plane with a constant exponent ${\ensuremath{\gamma}}_{\mathrm{st}}=\frac{5}{4}$, consistent with the universality hypothesis. However, in contrast to the meta model, it is found that the direct susceptibility $\ensuremath{\chi}$ diverges at the tricritical point with an exponent $\overline{\ensuremath{\gamma}}\ensuremath{\simeq}\frac{1}{4}$. Implications of the scaling hypothesis at the tricritical point are discussed and the results for both the meta and nnn models are utilized to obtain the scaling power a‾2{\overline{a}}_{2}a2​ corresponding to the "weak" direction (in the sense of Griffiths and Wheeler). Included in this discussion is the double-power-law form, predicted to hold within the crossover region by tricritical-point scaling.
Series for the reduced susceptibility $\overline{\ensuremath{\chi}}$, the reduced specific heat C‾H{\overline{C}}_{H}CH​, and second moment ${\ensuremath{\mu}}_{2}$ of the static correlation function for the three-dimensional S=12S=\frac{1}{2}S=21​ Ising model on both the simple cubic (sc) and face-centered cubic (fcc) lattices with different coupling strengths in different lattice directions have been analyzed to determine the crossover exponent $\ensuremath{\phi}$ describing the behavior of the critical temperature as a function of the anisotropy parameter RRR in the Hamiltonian $\mathcal{H}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j}\ensuremath{\equiv}\ensuremath{-}{J}_{\mathrm{xy}}(\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}+R\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j})$. Here si=+1{s}_{i}=+1si​=+1, the first sum is over all nearest-neighbor pairs in the xy\mathrm{xy}xy plane, and the second sum is over all pairs coupled in the zzz direction. The constant gap exponent we obtain for successive derivatives of $\overline{\ensuremath{\chi}}$ and C‾H{\overline{C}}_{H}CH​ with respect to RRR confirms the exponent predictions of scaling in the parameter RRR for thermodynamic functions, while the results of the ${\ensuremath{\mu}}_{2}$ series confirm the exponent predictions of scaling with respect to RRR for the two-spin correlation function. Our results agree with the predictions for $\ensuremath{\phi}$ of Abe and Suzuki, and also with rigorous relations satisfied by the exponents describing the derivatives of the various functions. Our results do not agree with previously published results, which are based on an analysis of only the susceptibility on only the sc lattice.
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.
In this work, we study the critical behavior of second-order points, specifically the Lifshitz point (LP) of a three-dimensional Ising model with axial competing interactions [the axial-next-nearest-neighbor Ising (ANNNI) model], using time-dependent Monte Carlo simulations. We use a recently developed technique that helps us localize the critical temperature corresponding to the best power law for magnetization decay over time: ${\ensuremath{\langle}M\ensuremath{\rangle}}_{{m}_{0}=1}\ensuremath{\sim}{t}^{\ensuremath{-}\ensuremath{\beta}/\ensuremath{\nu}z}$, which is expected of simulations starting from initially ordered states. We obtain original results for the dynamic critical exponent zzz, evaluated from the behavior of the ratio ${F}_{2}(t)={\ensuremath{\langle}{M}^{2}\ensuremath{\rangle}}_{{m}_{0}=0}/{\ensuremath{\langle}M\ensuremath{\rangle}}_{{m}_{0}=1}^{2}\ensuremath{\sim}{t}^{3/z}$, along the critical line up to the LP. We explore all the critical exponents of the LP in detail, including the dynamic critical exponent $\ensuremath{\theta}$ that characterizes the initial slip of magnetization and the global persistence exponent ${\ensuremath{\theta}}_{g}$ associated with the probability P(t)P(t)P(t) that magnetization keeps its signal up to time ttt. Our estimates for the dynamic critical exponents at the Lifshitz point are z=2.34(2)z=2.34(2)z=2.34(2) and ${\ensuremath{\theta}}_{g}=0.336(4)$, values that are very different from those of the three-dimensional Ising model (the ANNNI model without the next-nearest-neighbor interactions at the zzz axis, i.e., J2=0{J}_{2}=0J2​=0), i.e., $z\ensuremath{\approx}2.07$ and ${\ensuremath{\theta}}_{g}\ensuremath{\approx}0.38$. We also present estimates for the static critical exponents $\ensuremath{\beta}$ and $\ensuremath{\nu}$, obtained from extended time-dependent scaling relations. Our results for static exponents are in good agreement with previous works.
Of particular current interest is the critical behavior of functions on crossing over from one lattice dimensionality to another. To this end, we report high-temperature series for an Ising model with lattice anisotropy-i.e., with different exchange constants for different lattice directions. The Hamiltonian is ${\mathcal{H}}_{l,\mathrm{anis}}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j}\ensuremath{\equiv}\ensuremath{-}{J}_{\mathrm{xy}}(\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{\mathrm{xy}}{s}_{i}{s}_{j}+R\ensuremath{\Sigma}{〈\mathrm{ij}〉}^{z}{s}_{i}{s}_{j})$ where ${s}_{i}=\ifmmode\pm\else\textpm\fi{}1$, the first summation is over all nearest-neighbor pairs in the xy\mathrm{xy}xy plane, and the second sum is over pairs coupled in the zzz direction. The susceptibility, second moment, and specific-heat series are explicitly presented for arbitrary Jxy{J}_{\mathrm{xy}}Jxy​ and Jz{J}_{z}Jz​ for the simple cubic (sc) and face-centered cubic (fcc) lattices to tenth order in inverse temperature. The general-RRR series are essential if one wishes to study the Riedel-Wegner crossover exponent appropriate to changing lattice dimensionality, since for $R\ensuremath{\equiv}\frac{{J}_{z}}{{J}_{\mathrm{xy}}}=0$, both the sc and fcc lattices reduce to two-dimensional square lattices, while in the limit $R\ensuremath{\rightarrow}\ensuremath{\infty}$, the sc reduces to noninteracting linear chains.
High-temperature series expansions are used to examine the dependence of critical-point exponents upon lattice anisotropy (different interaction strengths in different directions in the lattice). The two-spin correlation function ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ is calculated to tenth order in (1kBT\frac{1}{{k}_{B}T}kB​T1​) for the Ising Hamiltonian ${\mathcal{H}}_{l \mathrm{anis}}=\ensuremath{-}{J}_{\mathrm{xy}}\ensuremath{\Sigma}\stackrel{\mathrm{xy}}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}\ensuremath{-}{J}_{z}\ensuremath{\Sigma}\stackrel{z}{〈\mathrm{ij}〉}{S}_{i}^{z}{S}_{j}^{z}$ for a wide range of anisotropy parameters $R\ensuremath{\equiv}\frac{{J}_{z}}{{J}_{\mathrm{xy}}}$ and for both the sc and fcc lattices; here the first summation is over all pairs of nearest-neighbor sites whose relative displacement vector ${\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}}_{\mathrm{ij}}$ has no zzz component, while the second summation is over all other pairs of nearest-neighbor sites. Hence for R=0R=0R=0, both the sc and fcc lattices reduce to the two-dimensional square lattice, while in the limit $R\ensuremath{\rightarrow}\ensuremath{\infty}$, the sc becomes a one-dimensional linear chain and the fcc becomes two noninteracting three-dimensional bcc lattices. The series for ${C}_{2}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})$ are then used to obtain series of corresponding lengths for the specific heat, susceptibility, and second moment. Analysis of these series yields results consistent with the universality hypothesis of critical-point exponents. Specifically, it is found that when lattice anisotrophy is introduced, the critical-point exponents studied (the susceptibility exponent $\ensuremath{\gamma}$ and the correlation length exponent $\ensuremath{\nu}$) do not appear to change from their values for an isotropic lattice. The problem of next-nearest-neighbor interactions is treated using similar methods in Paper II of this series (and briefly discussed in this paper).