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Journal of Physics A Mathematical and General

Critical parameters for the heat capacity of three-dimensional Ising ferromagnets

Svend J. Knak Jensen, Ole G. Mouritsen

Published Aug 1, 1982• 8 citations
Publisher

Abstract

The singularity of the heat capacity for the spin- 1 / 2 Ising ferromagnet arrayed on simple cubic and diamond lattices is investigated through the analysis of high-precision Monte Carlo data for the internal energy. The analysis incorporates confluent singularities. Two least-squares fitting procedures are considered. In the first one, the leading confluent singularity amplitude is zero and the next confluent singularity is included. For both lattices this procedure gives accordance with: (i) the universal value for the ratio of the leading singularity amplitudes predicted from the epsilon expansion and (ii) the theoretical expectation of equality between the non-singular parts of the heat capacity above and below the critical temperature. In the second least-squares fitting procedure, the leading confluent singularity is finite. This leads to a fit which disagrees with both (i) and (ii). The Monte Carlo results suggest that the failure of the series analysis to accord with (i) and (ii) may be due to neglect of a rather large confluent singularity in the ferromagnetic phase.

DOI
10.1088/0305-4470/15/8/038

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The singularity of the heat capacity for the spin- 1 / 2 Ising ferromagnet arrayed on simple cubic and diamond lattices is investigated through the analysis of high-precision Monte Carlo data for the internal energy. The analysis incorporates confluent singularities. Two least-squares fitting procedures are considered. In the first one, the leading confluent singularity amplitude is zero and the next confluent singularity is included. For both lattices this procedure gives accordance with: (i) the universal value for the ratio of the leading singularity amplitudes predicted from the epsilon expansion and (ii) the theoretical expectation of equality between the non-singular parts of the heat capacity above and below the critical temperature. In the second least-squares fitting procedure, the leading confluent singularity is finite. This leads to a fit which disagrees with both (i) and (ii). The Monte Carlo results suggest that the failure of the series analysis to accord with (i) and (ii) may be due to neglect of a rather large confluent singularity in the ferromagnetic phase.
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We have extended the series for the zero-field susceptibility of the spin-sss Ising model through tenth order in the reduced inverse temperature KKK on the square, triangular, simple-cubic, body-centered-cubic, and face-centered-cubic lattices. The series coefficients hn(s){h}_{n}(s)hn​(s) are expressed as simple polynomials in X=s(s+1)X=s(s+1)X=s(s+1). Using extended methods of analysis we have estimated the nature of the leading singularities on the face-centered lattice and conclude with good confidence that the susceptibility exponent ${\ensuremath{\gamma}}_{1}$ equals 1.25, independent of sss. The exponent of the leading correction term is estimated to be ${\ensuremath{\gamma}}_{2}\ensuremath{\simeq}0.75\ifmmode\pm\else\textpm\fi{}0.08$ in good agreement with renormalization-group theory. For s=12s=\frac{1}{2}s=21​ only, the amplitude of the confluent correction apparently vanishes. We have also studied the leading singularities on the triangular lattice and conclude that ${\ensuremath{\gamma}}_{1}=\frac{7}{4}$, independent of sss, with, however, much stronger corrections than in three dimensions. These results provide a very strong corroboration of the universality hypothesis.
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We report a detailed study of twelve-term, high-temperature series for the second moment of spin-pair correlations ${\ensuremath{\mu}}_{2}(t)$ and the specific heat cH(t){c}_{H}(t)cH​(t) of the nearest-neighbor spin-sss Ising model in zero magnetic field on the fcc lattice. Near criticality we find ${\ensuremath{\mu}}_{2}(t)={A}_{2}(s)t{(s)}^{\ensuremath{-}(\ensuremath{\gamma}+2\ensuremath{\nu})}[1 + {B}_{2}(s)t{(s)}^{{\ensuremath{\Delta}}_{1}}+ \ensuremath{\cdots}]$, {$t(s)=\frac{[T\ensuremath{-}{T}_{c}(s)]}{T}$}, showing a confluent correction to the dominant scaling singularity. To within uncertainties the exponents have the universal (i.e., spin-independent) values $\ensuremath{\nu}={0.638}_{\ensuremath{-}0.008}^{+0.002}$ (with $\ensuremath{\gamma}={1.250}_{\ensuremath{-}0.007}^{+0.003}$) and ${\ensuremath{\Delta}}_{1}=0.6\ifmmode\pm\else\textpm\fi{}0.1$. The confluent exponent ${\ensuremath{\Delta}}_{1}$ is in reasonable agreement with the correction-to-scaling index derived from earlier analysis of the susceptibility, as predicted by renormalization-group arguments. A similar analysis of the specific heat cH{c}_{H}cH​ for the same model finds no detectable confluent singularities in rather noisy, high-temperature series and gives $\ensuremath{\alpha}=0.125\ifmmode\pm\else\textpm\fi{}0.020$ in general confirmation of earlier s=12s=\frac{1}{2}s=21​ estimates. With $\ensuremath{\nu}$ as quoted above the hyperscaling relation $d\ensuremath{\nu}=2\ensuremath{-}\ensuremath{\alpha}$ at d=3d=3d=3 requires $\ensuremath{\alpha}={0.086}_{\ensuremath{-}0.006}^{+0.024}$ so the validity of hyperscaling remains problematical.