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Bipolar magnetism in two-dimensional NbS2 semiconductor with high Curie temperature

Abstract

Exploring two-dimensional (2D) crystals with intrinsic room-temperature magnetism is of particular importance to develop practical spintronics at the nanoscale. Here, we report the electronic and magnetic properties of freestanding 2D NbS2 crystal on the basis of first-principles calculations. Our results demonstrate that 2D NbS2 monolayer is bipolar magnetic semiconductor with a spin bandgap of 0.27 eV by using screened hybrid density functional HSE06 method. In particular, both electron and hole doping could induce the transition from bipolar magnetic semiconductor to half metal in NbS2 nanosheet, where the spin-polarization direction of carriers in half-metallic NbS2 nanosheet can be tuned with doping type. Monte Carlo simulation predicts a Curie temperature over 141 K in 2D NbS2 crystal, which can be enhanced up to 273 K by hole doping or applying a biaxial tensile strain. These findings imply the great potential of 2D NbS2 nanosheet in nanoscale spintronics application.

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Publication details

The article was received on 22 Aug 2018, accepted on 30 Sep 2018 and first published on 01 Oct 2018


Article type: Paper
DOI: 10.1039/C8TC04188A
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    Bipolar magnetism in two-dimensional NbS2 semiconductor with high Curie temperature

    Y. Sun, Z. Zhuo and X. Wu, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C8TC04188A

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