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Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain
Shi H.1,2; Pan H.3; Zhang Y.-W.1; Yakobson B.I.4,5
2013
Source PublicationPhysical Review B - Condensed Matter and Materials Physics
ISSN10980121
Volume88Issue:20
Abstract

The electronic and magnetic properties of hydrogenated monolayer MoS 2 subject to equibiaxial tensile strain are systematically investigated using first-principles calculations. It is shown that at the strain-free state, the hydrogenated MoS2 is an n-type semiconductor with no spontaneous magnetism. As the tensile strain increases, however, a ground-state transition from nonmagnetism to ferromagnetism (FM) occurs with simultaneously enhanced magnetic moment and stability. The maximum FM state is achieved at a strain of 6.6%, which corresponds to Curie temperature T c of 232 K. As the strain increases further, both strength and stability of the ferromagnetic state weaken and eventually vanish due to the enhanced ionic character in Mo-S bonds and the resulting delocalization of Mo d orbitals. Similar behavior is also predicted in hydrogenated monolayer MoSe 2. The present work by combining chemical functionalization and strain engineering provides a route to harness the magnetic properties of two-dimensional transition metal dichalcogenides for spintronic applications. © 2013 American Physical Society.

DOI10.1103/PhysRevB.88.205305
URLView the original
Indexed BySCI
Language英语
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000326822500010
The Source to ArticleScopus
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Cited Times [WOS]:43   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Affiliation1.ASTAR, Inst High Performance Comp, Singapore 138632, Singapore
2.Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China
3.Univ Macau, Fac Sci & Technol, Macau, Peoples R China
4.Rice Univ, Dept Mech Engn & Mat Sci, Dept Chem, Houston, TX 77005 USA
5.Rice Univ, Smalley Inst Nanoscale Sci & Technol, Houston, TX 77005 USA
Recommended Citation
GB/T 7714
Shi H.,Pan H.,Zhang Y.-W.,et al. Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain[J]. Physical Review B - Condensed Matter and Materials Physics,2013,88(20).
APA Shi H.,Pan H.,Zhang Y.-W.,&Yakobson B.I..(2013).Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain.Physical Review B - Condensed Matter and Materials Physics,88(20).
MLA Shi H.,et al."Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain".Physical Review B - Condensed Matter and Materials Physics 88.20(2013).
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