南方科技大学知识苑(SUSTech KC): Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study

题名	Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study
作者	Wang, Zhe1,2 ; Gui, Zhigang1,2,3 ; Huang, Li1,2
通讯作者	Gui, Zhigang
发表日期	2023-01-24
DOI	10.1103/PhysRevB.107.035426
发表期刊	PHYSICAL REVIEW B 影响因子和分区
ISSN	2469-9950
EISSN	2469-9969
卷号	107 期号:3
摘要	The sliding ferroelectricity is engineered by artificially stacking the nonpolar two-dimensional (2D) materials, which greatly broadens the 2D ferroelectrics from very few candidate materials to a large family of 2D materials. However, the electric polarizations are generally small due to the weak van der Waals interlayer interaction. The search for 2D sliding ferroelectrics with large polarization presents an ongoing challenge. Here we systematically investigate the sliding ferroelectricity in the bilayer honeycomb structures of BX (X = P, As, Sb), YN (Y = Al, Ga, In), and ZC (Z = Si, Ge, Sn) based on first-principles calculations. It is shown that the electric polarization decreases with the increase of the interlayer distance, and increases with the difference in electronegativity of the two constituent elements. Such dependence is further corroborated by a simple model. It is interesting to see that GeC can be an ideal sliding ferroelectric material with high polarization and energetically favorable polar stacking. Our results reveal the key factors in determining the electric polarization, which could facilitate the search and design of 2D sliding ferroelectrics with large out-of-plane polarization.
相关链接	[来源记录]
收录类别	SCI ; EI
语种	英语
学校署名	第一 ; 通讯
资助项目	Ministry of Science and Technology of the People's Republic of China[2022YFA1402903] ; National Natural Science Foundation of China[12004160] ; Open Project of Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices[2020B1212060030] ; Shenzhen Science and Technology Program[KQTD20190929173815000] ; Guangdong Innovative and Entrepreneurial Research Team Program[2019ZT08C044] ; Guangdong Provincial Key Laboratory of Computational Science and Material Design[2019B030301001]
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000925674700005
出版者	AMER PHYSICAL SOC
EI入藏号	20230613551001
EI主题词	Chemical bonds ; Electronegativity ; Ferroelectric materials ; Ferroelectricity ; Honeycomb structures ; Van der Waals forces
EI分类号	Structural Members and Shapes:408.2 ; Electricity: Basic Concepts and Phenomena:701.1 ; Dielectric Materials:708.1 ; Physical Chemistry:801.4 ; Electrochemistry:801.4.1 ; Atomic and Molecular Physics:931.3
ESI学科分类	PHYSICS
来源库	Web of Science
引用统计	被引频次[WOS]：20
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/490006
专题	理学院_物理系前沿与交叉科学研究院
作者单位	1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China 2.Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China 3.Southern Univ Sci & Technol, Guangdong Prov Key Lab Computat Sci & Mat Design, Shenzhen 518055, Guangdong, Peoples R China
第一作者单位	物理系; 前沿与交叉科学研究院
通讯作者单位	物理系; 前沿与交叉科学研究院; 南方科技大学
第一作者的第一单位	物理系
推荐引用方式 GB/T 7714	Wang, Zhe,Gui, Zhigang,Huang, Li. Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study[J]. PHYSICAL REVIEW B,2023,107(3).
APA	Wang, Zhe,Gui, Zhigang,&Huang, Li.(2023).Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study.PHYSICAL REVIEW B,107(3).
MLA	Wang, Zhe,et al."Sliding ferroelectricity in bilayer honeycomb structures: A first-principles study".PHYSICAL REVIEW B 107.3(2023).