Ordering/displacive ferrielectricity in 2D CuInP2S6

IF 0.6 4区材料科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Ferroelectrics Pub Date : 2024-02-20 DOI:10.1080/00150193.2023.2300600

Yulian Vysochanskii, Vitalii Liubachko, Konstantin Glukhov, Ruslan Yevych, Anton Kohutych, Viacheslav Hryts, Andrius Dziaugys, Juras Banys

引用次数: 0

Abstract

Using DFT-based molecular dynamics simulation of Cu+ cations flipping and In3+ cations displacive dynamics, we clarify the dipole ordering of CuInP2S6 ferrielectrics through the second order Jahn-T...

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二维 CuInP2S6 中的有序/无序铁电性

通过基于 DFT 的 Cu+ 阳离子翻转和 In3+ 阳离子位移动力学分子动力学模拟，我们阐明了 CuInP2S6 铁电材料通过二阶 Jahn-T...

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Ferroelectrics 工程技术-材料科学：综合

CiteScore

1.30

自引率

12.50%

发文量

265

审稿时长

4.2 months

期刊介绍： Ferroelectrics is designed to provide a forum for people working in ferroelectrics and related materials such as ferroelastics, ferroelectric-ferromagnetics, electrooptics, piezoelectrics, pyroelectrics, nonlinear dielectrics, and liquid crystals. Ferroelectrics publishes experimental and theoretical papers aimed at the understanding of ferroelectricity and associated phenomena and applied papers dealing with the utilization of these materials in devices and systems. An important aspect of Ferroelectrics is to provide a vehicle for the publication of interdisciplinary papers involving ferroelectricity. The editor invites original papers and short communications on the theory, fabrication, properties, and applications of ferroelectrics and related materials. In addition to research papers, Ferroelectrics publishes appropriate and timely review articles.