Residential College | false |
Status | 已發表Published |
Strong ferromagnetism in hydrogenated monolayer MoS2 tuned by strain | |
Hongliang Shi1,2; Hui Pan3; Yong-Wei Zhang1; Boris I. Yakobson4 | |
2013-11-12 | |
Source Publication | Physical Review B - Condensed Matter and Materials Physics |
ISSN | 1098-0121 |
Volume | 88Issue: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. |
DOI | 10.1103/PhysRevB.88.205305 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Materials Science ; Physics |
WOS Subject | Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
WOS ID | WOS:000326822500010 |
Publisher | AMER PHYSICAL SOCONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 |
The Source to Article | Scopus |
Scopus ID | 2-s2.0-84887600869 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Hui Pan; Yong-Wei Zhang |
Affiliation | 1.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 |
Corresponding Author Affilication | Faculty of Science and Technology |
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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