How to enhance the polarization intensity of two-dimensional sliding ferroelectricity for hexagonal boron- or nitrogen-based binary compounds?

• Published in: Journal of physics. Condensed matter Vol. 36; no. 20; pp. 205505 - 205512
• Main Authors: Xu, Jinrong, Yang, Ziyue, Liu, Wenjing, Wang, Li, Wang, Ying
• Format: Journal Article
• Language: English
• Published: England IOP Publishing 22.05.2024
• Subjects: boron- or nitrogen-based binary compounds; energy barrier; polarization intensity; two-dimensional sliding ferroelectricity; polarization intensity; energy barrier; boron- or nitrogen-based binary compounds; two-dimensional sliding ferroelectricity
• ISSN: 0953-8984; 1361-648X
• DOI: 10.1088/1361-648X/ad2884

In recent years, two-dimensional sliding ferroelectric materials have received widespread attention due to their unique ferroelectric mechanism, which exists in van der Waals bilayer and multilayer systems. However, compared to traditional ferroelectric materials, their relatively weak polarization intensity and low energy barrier limit their practical applications. Here, using the first-principles calculations, we focus on hexagonal layered structures formed by group III-V elements and propose a design principle that utilizes bilayer materials composed of elements with significant differences in atomic electronegativity to address this issue. The results show that materials composed of two atoms with significant electronegativity differences can effectively increase the polarization intensity and possess moderate energy barriers. Furthermore, the polarization intensity can be effectively modulated by adjusting interlayer distance. The research findings have important significance for the exploration of other two-dimensional sliding ferroelectric materials with high polarization intensity.&#xD.