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Issue 36, 2017
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Transition-metal doping induces the transition of electronic and magnetic properties in armchair MoS2 nanoribbons

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Abstract

The electronic structure, magnetic properties and stability of transition-metal (TM) doped armchair MoS2 nanoribbons (AMoS2NRs) with full hydrogen passivation have been investigated using density functional theory. The hydrogen passivated AMoS2NRs are non-magnetic semiconductors, but TM doping can make the AMoS2NRs display diverse characteristics (such as non-magnetic metal, magnetic semiconductor, non-magnetic semiconductor and semi-metal properties), in which a transition of the electronic and magnetic properties is observed. Electronic structure analysis shows that the magnetism of the TM-doped AMoS2NRs is concentrated on the TM dopant and the edge Mo atoms, which mainly comes from the competition between the exchange splitting and crystal-field splitting. More importantly, Mn-doped AMoS2NRs may be good candidates for spintronic devices 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 spintronic devices based on low-dimensional nanostructures.

Graphical abstract: Transition-metal doping induces the transition of electronic and magnetic properties in armchair MoS2 nanoribbons

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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., 2017,19, 24594-24604
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    Transition-metal doping induces the transition of electronic and magnetic properties in armchair MoS2 nanoribbons

    J. Pan, R. Wang, X. Zhou, J. Zhong, X. Xu and J. Hu, Phys. Chem. Chem. Phys., 2017, 19, 24594
    DOI: 10.1039/C7CP03151C

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