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physica status solidi (b)

Entropy and specific heat of the 3D ising model as functions of temperature and microscopic parameters of the system

Mykhailo P. Kozlovskii, Ihor V. Pylyuk

Published May 1, 1994• 13 citations
Publisher

Abstract

Abstract Explicit expressions for the critical amplitudes of the specific heat and other thermodynamic functions of the three‐dimensional Ising model with extracted universal part and non‐universal factor are obtained applying the non‐Gaussian measure density of fluctuation distribution for the calculation of the partition function. The curves for thermodynamic characteristics as functions of temperature and microscopic parameters of the Hamiltonian near the phase transition point are presented.

DOI
10.1002/pssb.2221830119

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Abstract Explicit expressions for the critical amplitudes of the specific heat and other thermodynamic functions of the three‐dimensional Ising model with extracted universal part and non‐universal factor are obtained applying the non‐Gaussian measure density of fluctuation distribution for the calculation of the partition function. The curves for thermodynamic characteristics as functions of temperature and microscopic parameters of the Hamiltonian near the phase transition point are presented.
The microscopic approach to calculating and investigating the three-dimensional (3D) Ising-like system thermodynamics above and below the phase transition temperature Tc is developed using the collective variables method.Mathematical description is performed within the framework of the higher non-Gaussian approximation ( 6 model) taking into account the corrections to scaling.A nonuniversal factor depending on microscopic parameters of the system is singled out in the expressions for leading critical amplitudes and correction-to-scaling amplitudes.Numerical estimates of the critical region size, phase transition temperature as well as the graphs of temperature dependences of entropy and other thermodynamic characteristics near Tc are given for various values of eective radius of the exponentially decreasing interaction potential.The variation of the free energy of the system at the phase transition point, average spin moment, and speci c heat with increasing ratio of the potential eective radius to the simple cubic lattice constant is traced.The results of calculations and their comparison with the other authors' data show that the 6 model provides a more adequate quantitative description of the critical behaviour of a 3D Ising-like system than the 4 model.
The original collective variables method for calculating the thermodynamic characteristics of a three-dimensional Ising-like system is developed in the approximation of the sextic distribution for modes of spin-density oscillations $({\ensuremath{\rho}}^{6}$ model), taking into account the first confluent correction. The calculations within the framework of this higher non-Gaussian approximation are performed in the temperature regions above and below the critical value of Tc{T}_{c}Tc​ and are illustrated by an example of a simple cubic lattice and an exponentially decreasing interaction potential. The collective variables method makes it possible to obtain universal and nonuniversal quantities by using a unified approach. The dependence of the critical region size and phase-transition temperature on the microscopic parameters is investigated. A microscopic analog of the Landau free energy is calculated. Explicit expressions for the thermodynamic characteristics are obtained as functions of temperature and microscopic parameters of the system. It is shown that each of the leading critical amplitudes and correction-to-scaling amplitudes can be represented as a product of a universal factor not depending on the microscopic parameters of the system and a nonuniversal factor depending on these parameters. The thermodynamic characteristics near Tc{T}_{c}Tc​ and their amplitudes are given for various values of the effective radius of the exponentially decreasing interaction potential (including the values corresponding to the nearest-neighbor interaction and the interactions between the nearest and next-nearest neighbors and between the nearest, next-nearest, and third neighbors). The results of calculations and their comparison with other authors' data show that the ${\ensuremath{\rho}}^{6}$ model provides a better quantitative description of the critical behavior of a three-dimensional Ising ferromagnet than the ${\ensuremath{\rho}}^{4}$ model.
The partition function of a three-dimensional Ising model was calculated by a high-speed computer for a cubic array of twenty-seven points. The periodicity condition was imposed. The specific heat of the 3×3×3 lattice was calculated as a function of temperature. The critical temperature estimated from the specific heat curve seems slightly lower that obtained from the Padé approximation. The zeros of the partition function of the complex temperature plane were also obtained. The critical temperature estimated from the zeros near the positive real axis seems slightly higher than both of the above values. Similar calculations were carried out for the case of the two-dimensional Ising model. Several results are compared with those obtained from Onsager's exact solution.
Abstract A method for the calculation of the thermodynamic functions in the three-dimensional using model near the phase transition is proposed. In the frame of a uniform approach, the critical exponents and the critical amplitudes of the main characteristics of the model (i.e. free energy, enthropy, specific heat, etc.) are obtained as functions of microscopic Hamiltonian parameters. It is shown that the correct sign and temperature behaviour of the entropy are provided due to the contribution of the long-wave spin moment modes. The short-wave ones are responsible for the values of the critical exponents.
A microscopic approach to the investigation of the three-dimensional Ising-like system thermodynamics below the phase transition temperature T c is schematically presented within the framework of the higher non-Gaussian approximation (ρ 6 model) taking into account the corrections to scaling. A microscopic analogue of the Landau free energy is calculated. Explicit expressions for the thermodynamic characteristics are obtained as functions of the temperature and microscopic parameters of the system. The thermodynamic characteristics near T c and their amplitudes are given for various values of the effective radius of the exponentially decreasing interaction potential (including the values corresponding to the nearest-neighbour interaction, the interaction between the nearest and next-nearest neighbours, and that between the nearest, next-nearest, and third neighbours). The evolutions of the free energy of the system at the phase transition point, average spin moment, and specific heat with increasing ratio of the potential effective radius to the simple cubic lattice constant are plotted. The results of calculations and their comparison with other authors' data show that the ρ 6 model provides a better quantitative description of the critical behaviour of a three-dimensional Ising magnetic than the ρ 4 model.
The behavior of a 3D Ising system at temperatures above Tc is studied in the approximation of sextic distribution for modes of spin moment density oscillations (ρ6 model). An original method is developed in this higher non-Gaussian approximation for calculating the thermodynamic characteristics of the 3D Ising model near Tc taking into account the first confluent correction. The contributions to the thermodynamic functions of an Ising ferromagnet (free energy, entropy, internal energy, and specific heat) from the short-wave and long-wave modes of spin density oscillations are considered separately. A nonuniversal factor determined by microscopic characteristics of the system is singled out in the expressions for leading critical amplitudes and the amplitudes of the confluent correction. Numerical estimates of the critical region size, phase transition temperature, leading critical amplitudes, and the amplitudes of the correction to scaling of specific heat and susceptibility of the system are given for different values of effective radius of the exponentially decreasing interaction potential.