Magnetic properties of atomic 3d transition-metal chains on S-vacancy-line templates of monolayer MoS2: effects of substrate and strain

doi:10.1039/c6tc04672j

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 原子分子光物理研究部

	Magnetic properties of atomic 3d transition-metal chains on S-vacancy-line templates of monolayer MoS2: effects of substrate and strain
	Li, Hongxing 1,2; Huang, Min 2; Cao, Gengyu 2
刊名	JOURNAL OF MATERIALS CHEMISTRY C
	2017-05-14
卷号	5 期号:18 页码:4557-4564
DOI	10.1039/c6tc04672j
文献子类	Article
英文摘要	The unique tri-layered atomic structure of MoS2 monolayer favors formation of sulfur vacancy lines (SVL), which has been confirmed by both theoretical and experimental studies. This defect could be used as a template to accommodate atomic metal chains, which is an interesting research topic in recent years. In this study, we investigated the magnetic properties of atomic 3d transition metal (V, Cr, Mn and Fe) chains adsorbed along a SVL of monolayer MoS2 using first-principles calculations. All atomic transition-metal (TM) chains could adsorb stably with large binding energies. The magnetic orders and exchange interactions of 3d transition-metal chains were dramatically influenced by the MoS2 substrate. The magnetic ground state of the V and Cr chains remained unchanged after anchoring onto MoS2; however the magnetic interactions weakened compared to those of their free-standing cases. Mn and Fe chains showed transitions from ferromagnetic (FM) coupling in a freestanding chain to antiferromagnetic (AFM) coupling on the SVL of MoS2. The magnetic coupling in atomic transition metal chains is mediated by Mo atoms in the vicinity of atomic chains, which is governed by the combination of through-bond and through-space interactions. It was found that through-bond coupling is dominant in FM V/MoS2, and through-space coupling is dominant in the AFM state of Cr/MoS2, Mn/MoS2 and Fe/MoS2. The electronic properties, magnetic order and exchange interactions of atomic 3d transition-metal chain on SVL of MoS2 can be tuned by the uniaxial strain applied along the chain direction.
WOS关键词	GRAPHENE ; 1ST-PRINCIPLES ; DEFECTS ; ADSORPTION ; SEMICONDUCTORS ; SPINTRONICS ; MODULATION ; ANISOTROPY ; NANOWIRES ; STABILITY
WOS研究方向	Materials Science ; Physics
语种	英语
WOS记录号	WOS:000401103000027
资助机构	National Natural Science Foundation of China(11404374 ; National Natural Science Foundation of China(11404374 ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund ; National Key Basic Research Program of China(2013CBA01601) ; National Key Basic Research Program of China(2013CBA01601) ; 11574350) ; 11574350) ; National Natural Science Foundation of China(11404374 ; National Natural Science Foundation of China(11404374 ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund ; National Key Basic Research Program of China(2013CBA01601) ; National Key Basic Research Program of China(2013CBA01601) ; 11574350) ; 11574350)
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/11306]
专题	武汉物理与数学研究所_原子分子光物理研究部
作者单位	1.Univ Chinese Acad Sci, Beijing 10004, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
推荐引用方式 GB/T 7714	Li, Hongxing,Huang, Min,Cao, Gengyu. Magnetic properties of atomic 3d transition-metal chains on S-vacancy-line templates of monolayer MoS2: effects of substrate and strain[J]. JOURNAL OF MATERIALS CHEMISTRY C,2017,5(18):4557-4564.
APA	Li, Hongxing,Huang, Min,&Cao, Gengyu.(2017).Magnetic properties of atomic 3d transition-metal chains on S-vacancy-line templates of monolayer MoS2: effects of substrate and strain.JOURNAL OF MATERIALS CHEMISTRY C,5(18),4557-4564.
MLA	Li, Hongxing,et al."Magnetic properties of atomic 3d transition-metal chains on S-vacancy-line templates of monolayer MoS2: effects of substrate and strain".JOURNAL OF MATERIALS CHEMISTRY C 5.18(2017):4557-4564.