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Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Phase diagram of the spin- 32 Blume-Capel model in three dimensions

Sylvain Grollau

Published May 22, 2002• 42 citations
Publisher

Abstract

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).

DOI
10.1103/physreve.65.056130

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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 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.
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.
The phase diagram of the spin-32\frac{3}{2}23​ Blume-Capel model in two dimensions is explored by conventional finite-size scaling, conformal invariance, and Monte Carlo simulations. The model in its $\ensuremath{\tau}$-continuum Hamiltonian version is also considered and compared with other spin-32\frac{3}{2}23​ quantum chains. Our results indicate that, different from the standard spin-1 Blume-Capel model, there is no multicritical point along the order-disorder transition line. This is in qualitative agreement with mean-field prediction, but in disagreement with previous approximate renormalization-group calculations.
The microcanonical partition function ${\ensuremath{\Omega}}_{\ensuremath{\alpha},N}(E)$ of a three-dimensional ferromagnetic simple cubic Blume-Capel model is calculated for several coupling ratios $\ensuremath{\alpha}$ close to and on the first-order side of the tricritical point. To this end a single Monte Carlo simulation of a suitably extended partition function for systems of $L\ifmmode\times\else\texttimes\fi{}L\ifmmode\times\else\texttimes\fi{}L$ spins with $L\ensuremath{\in}{8,10,12,14,18}$ was performed. A finite system analog of the latent heat is introduced in order to define a tricritical point in finite systems as well. An empirical scaling of its coordinates to the thermodynamic limit yields ${\ensuremath{\alpha}}^{(t)}=2.84479\ifmmode\pm\else\textpm\fi{}0.00030$ for the tricritical coupling ratio, and ${k}_{B}{T}^{(t)}/J=1.4182\ifmmode\pm\else\textpm\fi{}0.0055$ for the tricritical transition temperature. The results are compared with values obtained on fcc lattices.
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.
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.