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arXiv:cond-mat/0011048 · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Thermodynamically self-consistent theory for the Blume-Capel model

Sylvain Grollau, Édouard Kierlik, Martin Luc Rosinberg, Gilles Tarjus

Published Mar 27, 2001• 25 citations
arXivHTMLPDF

Abstract

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

DOI
10.1103/physreve.63.041111

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International Journal of Modern Physics B•Jun 23, 2015•9 citations
We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.
We use a thermodynamically self-consistent theory to obtain the phase diagram of the ferromagnetic spin-3/2 Blume-Capel model on the simple cubic lattice. The theory is based on an Ornstein-Zernike approximation where the direct correlation function is truncated and the dependence upon the thermodynamic variables is determined by a set of two coupled partial differential equations. Within this framework, we localize the critical line in zero external field with high accuracy and in good agreement with previous Monte Carlo analysis. At low temperature, in contrast with Monte Carlo results, we find a first-order transition line ending at a critical end point whose coordinates are given by (k(B)T(c)/Jc=0.213+/-0.003,Delta(c)/Jc=0.491+/-0.001).
We investigate the location of the critical and tricritical points of the three-dimensional Blume-Capel model by analyzing the behavior of the first Lee-Yang zero, the density of partition function zeros, and higher-order cumulants of the magnetization. Our analysis is conducted through Monte-Carlo simulations, intentionally using only small system sizes. We demonstrate that this approach yields excellent results for studying the critical behavior of the model. Our findings indicate that, at the tricritical point, where logarithmic corrections are anticipated, the numerical results align closely with the theoretical exponents describing these corrections. These expected values are then employed to accurately determine the coordinates of the tricritical point. At the model's critical point, the corrections correspond to those of the three-dimensional Ising model criticality, which we also use to precisely ascertain the critical temperature at zero crystal field. Additionally, we utilize more traditional thermodynamic quantities to validate the self-consistency of our analysis.
The thermodynamic properties of the spin S=3/2 ferromagnetic Ising model in the presence of transverse and longitudinal crystal fields (equivalent to the Blume-Capel model with a transverse crystal field) have been studied by using two different approaches: (i) a zero-temperature mapping of the system onto a spin-1/2 quantum Ising model in longitudinal and transverse fields, together with time-independent quantum perturbation theory; and (ii) a standard mean-field approximation within the framework of the Bogoliubov inequality for the free energy. A very rich phase diagram, with different kinds of multicritical behavior, has been obtained. The results show first- and second-order transition lines, tricritical and tetracritical points, critical end points with a two-phase coexistence, double critical end points, and also double noncritical end points. Additionally, the behavior of the magnetization as a function of temperature, over a wide range of values of both longitudinal and transverse crystal fields, has also been analyzed in detail. While large magnitudes of the longitudinal crystal field select the z-spin components either in their states ±3/2 or ±1/2, it is surprising that a large transverse crystal field induces the spin component in the z direction to values ±1, which are completely different from any expected natural component. This comes indeed as a result of the zero-temperature mapping of the ground state with the superposition of the states 3/2 and -1/2, in one sector of the Hilbert space, and the states -3/2 and 1/2 on the other disjoint sector of the Hilbert space. This superposition for a large transverse crystal field prevails even for finite temperatures, implying that the exact critical points are obtained for the model on the one-dimensional lattice and the two-dimensional square lattice, and quite accurate estimates can be achieved for the three-dimensional simple cubic lattice.
We report on numerical simulations of the two-dimensional spin-1 Blume-Capel ferromagnet embedded in a triangular lattice. Utilizing a range of Monte Carlo and finite-size scaling techniques, we explore several critical aspects along the crystal field–temperature ( Δ , T ) transition line. Wang-Landau simulations measuring the joint density of states in combination with the method of field mixing allow us to probe the phase coexistence curve in high resolution, determining the tricritical point ( Δ t , T t ) with improved accuracy and verifying the tricritical exponents. Extensive multicanonical simulations identifying transition points across the phase diagram characterize the Ising universality class for Δ < Δ t with precise determination of thermal and magnetic critical exponents expected in the second-order regime. On the other hand, for Δ > Δ t , a finite-size scaling analysis is dedicated to revealing the first-order signature in the surface tension that linearly increases upon lowering the temperature deeper into the first-order transition regime. Finally, a comprehensive picture of the phase diagram for the model is presented, collecting transition points obtained from the combined numerical approach in this study and previous estimates in the literature.
The thermodynamic behavior of the fcc Blume-Capel ferromagnet, $\mathcal{H}=\ensuremath{-}J\ensuremath{\Sigma}\stackrel{}{〈12〉}{S}^{z}(1){S}^{z}(2)+\ensuremath{\Delta}\ensuremath{\Sigma}\stackrel{}{1}{[{S}^{z}(1)]}^{2}\ensuremath{-}h\ensuremath{\Sigma}\stackrel{}{1}{S}^{z}(1), {S}^{z}=0, \ifmmode\pm\else\textpm\fi{}1,$ is studied by series-extrapolation techniques. By using both high- and low-temperature series, we are able to trace first- and second-order branches of the phase boundary and examine behavior at temperatures both above and below the phase transition. We find a tricritical point at $\frac{{k}_{B}{T}_{t}}{12J}=0.2615\ifmmode\pm\else\textpm\fi{}0.0070$, $\frac{{\ensuremath{\Delta}}_{t}}{12J}=0.4716\ifmmode\pm\else\textpm\fi{}0.0010$. Tricritical exponents are consistent with ${\ensuremath{\gamma}}_{t}={\ensuremath{\gamma}}_{t}^{\ensuremath{'}}=1$, ${\ensuremath{\beta}}_{t}=\frac{1}{4}$, ${\ensuremath{\phi}}_{t}={\ensuremath{\nu}}_{t}={\ensuremath{\alpha}}_{t}={\ensuremath{\alpha}}_{t}^{\ensuremath{'}}=\frac{1}{2}$, in good agreement with tricritical mean-field theory and the Gaussian tricritical fixed point of Riedel and Wegner.