Stacking effects on the structure and magnetic properties of MoN2

doi:10.1209/0295-5075/ac23eb

HFCAS OpenIR

	Stacking effects on the structure and magnetic properties of MoN2
	Liang, X.1,2 ; Lv, H. Y.1; Si, J. G.1,2; Hong, Y. T.1,2; Lu, W. J.1 ; Sun, Y. P.1,3,4
	2021-08-01
发表期刊	EPL
ISSN	0295-5075
通讯作者	Liang, X.(liangxin564@163.com)
摘要	Stacking mode plays an important role in determining the ground state properties of van der Waals layered materials. Here, we study the structure and magnetic properties of 2H-MoN2 with different stacked structures by using first-principles calculations. The results show that the AA', AB, and A'B stacked structures are antiferromagnetic metals, while the AA and AB' stacked structures form the N-N covalent bonds between the neighboring layers and become non-magnetic semiconductors. The magnetic mechanism is analyzed based on the orbital occupation states and the spin-exchange coupling. Our results provide a fundamental understanding of the connection between stacking mode and the magnetic properties of 2H-MoN2, paving the way to utilize it for spintronic applications. Copyright (C) 2021 EPLA
DOI	10.1209/0295-5075/ac23eb
关键词[WOS]	PLANE-WAVE ; FERROMAGNETISM ; CRYSTAL ; TEMPERATURE
收录类别	SCI
语种	英语
资助项目	National Key R&D Program of China[2016YFA0300404] ; National Nature Science Foundation of China[11774351] ; National Nature Science Foundation of China[U2032215] ; Open Project of State Key Laboratory of Superhard Materials, Jilin University[201902]
项目资助者	National Key R&D Program of China ; National Nature Science Foundation of China ; Open Project of State Key Laboratory of Superhard Materials, Jilin University
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000731518000005
出版者	IOP Publishing Ltd
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/126455
专题	中国科学院合肥物质科学研究院
通讯作者	Liang, X.
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China 3.Chinese Acad Sci, High Magnet Field Lab, Hefei 230031, Peoples R China 4.Nanjing Univ, Collaborat Innovat Ctr Microstruct, Nanjing 210093, Peoples R China
推荐引用方式 GB/T 7714	Liang, X.,Lv, H. Y.,Si, J. G.,et al. Stacking effects on the structure and magnetic properties of MoN2[J]. EPL,2021,135.
APA	Liang, X.,Lv, H. Y.,Si, J. G.,Hong, Y. T.,Lu, W. J.,&Sun, Y. P..(2021).Stacking effects on the structure and magnetic properties of MoN2.EPL,135.
MLA	Liang, X.,et al."Stacking effects on the structure and magnetic properties of MoN2".EPL 135(2021).