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Origin of ferroelectric phase transition in SbSCl_xI_1-x mixed crystals

A. Audzijonis

Faculty of Science and Technology, Lithuanian University of Educational Sciences, Studentu 39, 08106 Vilnius, Lithuania

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L. Žigas

Faculty of Science and Technology, Lithuanian University of Educational Sciences, Studentu 39, 08106 Vilnius, Lithuania

Corresponding author.

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R. Sereika

Faculty of Science and Technology, Lithuanian University of Educational Sciences, Studentu 39, 08106 Vilnius, Lithuania

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, and

R. Žaltauskas

Faculty of Science and Technology, Lithuanian University of Educational Sciences, Studentu 39, 08106 Vilnius, Lithuania

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https://doi.org/10.1142/S0217979214502099Cited by:4 (Source: Crossref)

Abstract

The measurements of SbSCl_xI_1-x(x = 0.2) temperature dependent capacitance were carried out. The temperature of ferroelectric phase transition T_C ≈340 K was measured experimentally. T_C of SbSCl_xI_1-x was calculated theoretically in anharmonic and harmonic approximations. T_C was calculated in anharmonic approximation using temperature dependence of mean potential energy of Sb atoms as a function of the soft B_1u symmetry normal coordinate along c(z)-axis. Moreover, T_C was calculated in harmonic approximation using temperature dependence of vibrational thermodynamic functions (Helmholc free energy). T_C dependence from unit cell parameters a, b and from mixture composition x was carried out.

Keywords:

PACS: 71.15.Mb, 71.20.Nr, 77.22.-d, 78.20.Ci

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