Simulation of phase transitions in ferroelectric solid solutions by Monte-Carlo method

• Published in: Ferroelectrics Vol. 501; no. 1; pp. 70 - 74
• Main Authors: Maksimova, O. G., Maksimov, A. V., Vakhrameev, P. S.
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 01-09-2016; Taylor & Francis Ltd
• Subjects: Computer simulation; Ferroelectric materials; Ferroelectricity; Ferroelectrics; Heisenberg model; Mathematical models; Monte Carlo methods; Monte-Carlo method; Phase transformations; phase transition; Phase transitions; Simulation; Solid solutions; Three dimensional models
• ISSN: 0015-0193; 1563-5112
• DOI: 10.1080/00150193.2016.1199207

The modified three-dimensional Heisenberg model has been used for the study of ferroelectric solid solutions. Impurity particles with another dipole moment are implanted into the three-dimensional basic ferroelectric lattice. The Monte-Carlo method allows calculating the equilibrium configuration, susceptibility and the phase transition temperature of a three-dimensional ferroelectric system. It is shown that the dependence of the phase transition temperature on the concentration of solid ferroelectric solutions is non-linear. This temperature decreases sharply at the certain composition. This result can be explained by the percolation effect.