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Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain
Hongliang Shi1,2; Hui Pan3; Yong-Wei Zhang1; Boris I. Yakobson4
2013-11-12
Source PublicationPhysical Review B - Condensed Matter and Materials Physics
ISSN10980121
Volume88Issue:20
Other 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.

DOI10.1103/PhysRevB.88.205305
URLView the original
Indexed BySCIE
Language英語English
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]:102   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Affiliation1.Institute of High Performance Computing, A*STAR, Singapore 138632
2.Beijing Computational Science Research Center, Beijing 100084, People’s Republic of China
3.Faculty of Science and Technology, University of Macau, Macau SAR, People’s Republic of China
4.Department of Mechanical Engineering and Materials Science, Department of Chemistry, and the Smalley Institute for Nanoscale Science and Technology, Rice University, Houston, Texas 77005, USA
Recommended Citation
GB/T 7714
Hongliang Shi,Hui Pan,Yong-Wei Zhang,et al. Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain[J]. Physical Review B - Condensed Matter and Materials Physics,2013,88(20).
APA Hongliang Shi,Hui Pan,Yong-Wei Zhang,&Boris I. Yakobson.(2013).Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain.Physical Review B - Condensed Matter and Materials Physics,88(20).
MLA Hongliang Shi,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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