Ferroelectricity in (Pb$_y$Sn$_{1-y}$)$_2$P$_2$S$_6$ mixed crystals and random field BEG model

TL;DR

This study investigates ferroelectric phase transitions in mixed (Pb$_y$Sn$_{1-y}$)$_2$P$_2$S$_6$ crystals, combining experimental measurements and Monte Carlo simulations based on a BEG model to understand tricritical points and phase behavior.

Contribution

It introduces a combined experimental and theoretical approach to analyze phase transitions in mixed ferroelectric crystals using the BEG model.

Findings

Identification of tricritical points near 250 K in pure and mixed crystals.

Observation of heterophase features at transition temperatures below 250 K.

Agreement between experimental phase diagrams and Monte Carlo simulations.

Abstract

For Sn$_2$P$_2$S$_6$ ferroelectrics the second order phase transitions line is observed until reaching the tricritical point at transition temperature lowering to 250 K by compression. Observed temperature-pressure phase diagram agrees with simulated diagram by MC calculations based on early founded by DFT study local potential for Sn$_2$P$_2$S$_6$ crystals. In addition to the tricritical point, the possibility of disordered and quadrupolar phases occurrence was shown. For mixed crystals with tin by lead substitution, the investigated ultrasound, hypersound and low frequency dielectric properties also reveal appearance of heterophase peculiarities at decreasing of ferroelectric transition temperature below so named "temperature waterline" near 250~K. The tricriticality at similar temperature level also appears in mixed crystals at sulfur by selenium substitution. Such behavior agree with Blume-Emery-Griffiths (BEG) model, that is appropriated for investigated ferroelectric system with three-well local potential for the order parameter (spontaneous polarization) fluctuations.