Thermodynamic and dynamic dielectric properties of one-dimensional hydrogen bonded ferroelectric of PbHPO$_4$-type

TL;DR

This study models the thermodynamic and dynamic dielectric properties of one-dimensional hydrogen-bonded ferroelectrics like PbHPO$_4$ using a modified proton ordering approach, successfully matching experimental data.

Contribution

It introduces a modified proton ordering model that accounts for linear deformations and describes dielectric and thermodynamic properties without tunneling effects.

Findings

Quantitative agreement with temperature-dependent polarization data.

Accurate modeling of static dielectric permittivity and heat capacity.

Frequency-dependent dielectric behavior matches experimental observations.

Abstract

Within the modified model of proton ordering of one-dimensional ferroelectric having hydrogen bonds of PbHPO$_4$-type, their thermodynamic and dynamic characteristics are studied and calculated taking into account the linear (by crystal deformations $\varepsilon_i$ ($i=1,3$) and $\varepsilon_4$) contributions into the energy of a proton system but without taking into account the tunneling in the two-particle cluster approximation. There has been obtained a good quantitative description of the temperature dependence of polarization, static dielectric permittivity, heat capacity and frequency dependence of dynamic dielectric permittivity at different temperatures for PbHPO$_4$ and PbHDO$_4$ crystals.