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Title: Metal to semiconductor transition in metallic transition metal dichalcogenides

We report on tuning the electronic and magnetic properties of metallic transition metal dichalcogenides (mTMDCs) by 2D to 1D size confinement. The stability of the mTMDC monolayers and nanoribbons is demonstrated by the larger binding energy compared to the experimentally available semiconducting TMDCs. The 2D MX{sub 2} (M = Nb, Ta; X = S, Se) monolayers are non-ferromagnetic metals and mechanically softer compared to their semiconducting TMDCs counterparts. Interestingly, mTMDCs undergo metal-to-semiconductor transition when the ribbon width approaches to ∼13 Å and ∼7 Å for zigzag and armchair edge terminations, respectively; then these ribbons convert back to metal when the ribbon widths further decrease. Zigzag terminated nanoribbons are ferromagnetic semiconductors, and their magnetic properties can also be tuned by hydrogen edge passivation, whereas the armchair nanoribbons are non-ferromagnetic semiconductors. Our results display that the mTMDCs offer a broad range of physical properties spanning from metallic to semiconducting and non-ferromagnetic to ferromagnetic that is ideal for applications where stable narrow bandgap semiconductors with different magnetic properties are desired.
Authors:
; ;  [1] ; ;  [2] ;  [3]
  1. State Key Laboratory of Superlattice and Microstructures, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China)
  2. Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States)
  3. College of Science, National University of Defense Technology, Changsha 410073 (China)
Publication Date:
OSTI Identifier:
22257803
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; BINDING ENERGY; CONFINEMENT; MAGNETIC PROPERTIES; NANOSTRUCTURES; PASSIVATION; SEMICONDUCTOR MATERIALS; STABILITY; TRANSITION ELEMENTS; TUNING