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Issue 3, 2015
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Effects of 3d transition-metal doping on electronic and magnetic properties of MoS2 nanoribbons

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Abstract

The electronic and magnetic properties of MoS2 nanoribbons doped with 3d transitional metals (TMs) were investigated using first-principles calculations. Clean armchair MoS2 nanoribbons (AMoS2NRs) are nonmagnetic semiconductors whereas clean zigzag MoS2 nanoribbons (ZMoS2NRs) are metallic magnets. The 3d TM impurities tend to substitute the outermost cations of AMoS2NRs and ZMoS2NRs, which are in agreement with the experimental results reported. The magnetization of the 3d-TM-impurity-doped AMoS2NRs and ZMoS2NRs is configuration dependent. The band gap and carrier concentration of AMoS2NRs can be tuned by 3d-TM doping. Fe-doped AMoS2NRs exhibit ferromagnetic characteristics and the Curie temperature (TC) can be tuned using different impurity concentrations. Co-doped ZMoS2NRs are strongly ferromagnetic with a TC above room temperature.

Graphical abstract: Effects of 3d transition-metal doping on electronic and magnetic properties of MoS2 nanoribbons

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Publication details

The article was received on 09 Oct 2014, accepted on 26 Nov 2014 and first published on 26 Nov 2014


Article type: Paper
DOI: 10.1039/C4CP04579C
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2015,17, 1831-1836
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    Effects of 3d transition-metal doping on electronic and magnetic properties of MoS2 nanoribbons

    X. Tian, L. Liu, Y. Du, J. Gu, J. Xu and B. I. Yakobson, Phys. Chem. Chem. Phys., 2015, 17, 1831
    DOI: 10.1039/C4CP04579C

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