Optimization of Skanavi model and its application to high permittivity materials

doi:10.1088/1674-1056/ad9ba0

Abstract 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.

Keywords: electric field structural coefficient permittivity Skanavi model

Received: 06 September 2024
Revised: 23 October 2024
Accepted manuscript online: 09 December 2024

PACS:	77.80.-e	(Ferroelectricity and antiferroelectricity)
	77.80.B-	(Phase transitions and Curie point)
	77.84.-s	(Dielectric, piezoelectric, ferroelectric, and antiferroelectric materials)
	77.84.Bw	(Elements, oxides, nitrides, borides, carbides, chalcogenides, etc.)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 51277138), the Natural Science Basic Research Program of Shaanxi Province of China (Grant No. 2021JM-442), and the Fund from the Shaanxi Provincial Science and Technology Department for Qin Chuangyuan Scientist + Engineer Team (Grant No. 2024QCY-KXJ-194).

Corresponding Authors: Pengfei Cheng
E-mail: pfcheng@xpu.edu.cn

Cite this article:

Hao Luo(罗昊), Xinrui Qin(秦新瑞), Kejia Geng(耿可佳), Cuncun Kong(孔存存), and Pengfei Cheng(成鹏飞) Optimization of Skanavi model and its application to high permittivity materials 2025 Chin. Phys. B 34 017702

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Optimization of Skanavi model and its application to high permittivity materials

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