Optimization of Skanavi model and its application to high permittivity materials

A novel method is introduced to optimize the traditional Skanavi model by decomposing the electric field of molecules into the electric field of ions and quantitatively describing the ionic-scale electric field by the structural coefficient of the effective electric field. Furthermore, the optimizat...

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Bibliographic Details
Published inChinese physics B Vol. 34; no. 1; pp. 17702 - 465
Main Authors Luo, Hao, Qin, Xinrui, Geng, Kejia, Kong, Cuncun, Cheng, Pengfei
Format Journal Article
LanguageEnglish
Published Chinese Physical Society and IOP Publishing Ltd 01.01.2025
Subjects
electric field
permittivity
Skanavi model
structural coefficient
permittivity
electric field
structural coefficient
Skanavi model
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ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/ad9ba0

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Summary:A novel method is introduced to optimize the traditional Skanavi model by decomposing the electric field of molecules into the electric field of ions and quantitatively describing the ionic-scale electric field by the structural coefficient of the effective electric field. Furthermore, the optimization of the Skanavi model is demonstrated and the ferroelectric phase transition of BaTiO 3 crystals is revealed by calculating the optical and static permittivities of BaTiO 3 , CaTiO 3 , and SrTiO 3 crystals and the structure coefficients of the effective electric field of BT crystals after Ti 4+ displacement. This research compensates for the deficiencies of the traditional Skanavi model and refines the theoretical framework for analyzing dielectric properties in high permittivity materials.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/ad9ba0