Quantum-Chemical Analysis of the Structural Phase Transition in Quasi–One-Dimensional Ferroelectrics Pb( H / D )PO 4

S. P. Dolin,T. Yu. Mikhailova,N. N. Breslavskaya

Bulletin of the Russian Academy of Sciences: Physics（2018）

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摘要

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.

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关键词

structural phase transition,pbh/dpo4,quantum-chemical,one-dimensional

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