Quantum-Chemical Analysis of the Structural Phase Transition in Quasi–One-Dimensional Ferroelectrics Pb(H/D)PO4


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Abstract

The applicability of the simplest cluster models for semi-quantitative descriptions of the thermodynamics of structural phase transitions in quasi–one-dimensional ferroelectrics is considered. A lead hydrogen phosphate is used as an example. Even such simple models can qualitatively and, in some cases, quantitatively reproduce experimental data.

About the authors

S. P. Dolin

Kurnakov Institute of General and Inorganic Chemistry

Author for correspondence.
Email: dolin@igic.ras.ru
Russian Federation, Moscow, 119991

T. Yu. Mikhailova

Kurnakov Institute of General and Inorganic Chemistry

Email: dolin@igic.ras.ru
Russian Federation, Moscow, 119991

N. N. Breslavskaya

Kurnakov Institute of General and Inorganic Chemistry

Email: dolin@igic.ras.ru
Russian Federation, Moscow, 119991

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