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Transition-metals doping induced the transition of electronic and magnetic properties in armchair MoS2 nanoribbon

Abstract

The electronic structure, magnetic properties and stability of transition-metals(TM) doped armchair MoS2 nanoribbons (AMoS2NRs) with full hydrogen passivation have been investigated by using the density functional theory. The hydrogen passivated AMoS2NRs are nonmagnetic semiconductor, but TM doping can make AMoS2NRs display diverse characteristics (such as nonmagnetic metal, magnetic semiconductor, nonmagnetic semiconductor and semi-metal), which exists electronic and magnetic properties transition. The electronic structure analysis shows that the magnetism of TM-doped AMoS2NRs concentrates on dopant TM and edge Mo atoms, which mainly comes from competition between the exchange splitting and crystal-field splitting. More importantly, Mn-doped AMoS2NRs may be good candidates for spintronics due to their good ferromagnetism with long-range FM magnetic coupling, reliable Curie temperature and high stability. These interesting findings on AMoS2NRs may open the possibility of their application in nanodevices and spintronics based on low-dimension nanostructures.

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Publication details

The article was received on 12 May 2017, accepted on 03 Aug 2017 and first published on 03 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP03151C
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Transition-metals doping induced the transition of electronic and magnetic properties in armchair MoS2 nanoribbon

    J. Pan, R. Wang, X. Zhou, J. Zhong, X. Xu and J. Hu, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP03151C

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