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

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.
Authors:
 [1] ;  [2] ; ; ;  [3] ;  [4] ;  [1]
  1. Powder Metallurgy Research Institute and State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China)
  2. (China)
  3. School of Physics and Electronics, Central South University, Changsha 410083 (China)
  4. Physics program at the Graduate Center, City University of New York, 365 Fifth Avenue, New York, New York 10016-4309 (United States)
Publication Date:
OSTI Identifier:
22283134
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 7; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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