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Published on: December 5, 2015
Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons
A R Botello-Méndez1, F López-Urías, M Terrones
1Laboratory for Nanoscience and Nanotechnology Research (LINAN) and Advanced Materials Department, IPICYT, Camino a la Presa San José 2055, Coloniá Lomas 4a sección, San Luis PotosíSLP, 78216, Mexico.
Abstract:
The magnetic and electronic properties of MoS(2) nanoribbons with zigzag and armchair edges are investigated using LSDA-DFT. We found that the properties of the nanoribbons are very different from bulk MoS(2) due to edge states. Armchair nanoribbons could be metallic and exhibit a magnetic moment; however, when passivating with hydrogen, they become semiconducting. Zigzag nanoribbons are metallic and exhibit unusual magnetic properties regardless of passivation. Our results could explain the recent evidence of ferromagnetism in flat MoS(2) clusters, and motivate the synthesis of novel MoS(2) nanosystems.
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