Hydrogenation-induced edge magnetization in armchair MoS{sub 2} nanoribbon and electric field effects

Journal Article · Mon Feb 17 00:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4865902· OSTI ID:22283134

Ouyang, Fangping ^[1]; Yang, Zhixiong; Wu, Nannan; Chen, Yu ^[2]; Ni, Xiang ^[3]; Xiong, Xiang ^[1]

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1. Powder Metallurgy Research Institute and State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China)
2. School of Physics and Electronics, Central South University, Changsha 410083 (China)
3. Physics program at the Graduate Center, City University of New York, 365 Fifth Avenue, New York, New York 10016-4309 (United States)

We performed density functional theory study on the electronic and magnetic properties of armchair MoS{sub 2} nanoribbons (AMoS{sub 2}NR) with different edge hydrogenation. Although bare and fully passivated AMoS{sub 2}NRs are nonmagnetic semiconductors, it was found that hydrogenation in certain patterns can induce localized ferromagnetic edge state in AMoS{sub 2}NRs and make AMoS{sub 2}NRs become antiferromagnetic semiconductors or ferromagnetic semiconductors. Electric field effects on the bandgap and magnetic moment of AMoS{sub 2}NRs were investigated. Partial edge hydrogenation can change a small-sized AMoS{sub 2}NR from semiconductor to metal or semimetal under a moderate transverse electric field. Since the rate of edge hydrogenation can be controlled experimentally via the temperature, pressure and concentration of H{sub 2}, our results suggest edge hydrogenation is a useful method to engineer the band structure of AMoS{sub 2}NRs.

• OSTI ID: 22283134
• Journal Information: Applied Physics Letters, Vol. 104, Issue 7; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
77 NANOSCIENCE AND NANOTECHNOLOGY
ANTIFERROMAGNETISM
CONCENTRATION RATIO
DENSITY FUNCTIONAL METHOD
ELECTRIC FIELDS
ELECTRONIC STRUCTURE
ENERGY GAP
HYDROGEN
HYDROGENATION
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MAGNETIZATION
METALS
MOLYBDENUM SULFIDES
NANOSTRUCTURES
SEMICONDUCTOR MATERIALS
SEMIMETALS