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

ABSTRACT

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.

KEYWORDS:

• Ferroelectrics
• simulation
• Monte-Carlo method
• Heisenberg model
• phase transition

Acknowledgments

The study results obtained at performance State tasks № 2014/267 from 31.01.2014, № SR 1715 and work under the FASIE grant № 0011253 from 07.05.2015.