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Issue 37, 2017
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A first-principles study on zigzag phosphorene nanoribbons passivated by iron-group atoms

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Abstract

We performed a first-principles study on Fe-, Co-, and Ni-terminated zigzag phosphorene nanoribbons (ZPNRs) with different widths. Magnetic edges were observed for Fe- and Co-terminated ZPNRs, whereas Ni-terminated ZPNRs were nonmagnetic. Interestingly, magnetism could be induced in Ni-ZPNRs by external electric fields, and the distribution of the magnetic moments could be tuned by the direction of the electric fields. Furthermore, Fe-ZPNRs and Co-ZPNRs exhibit semi-metallic and metallic characteristics, respectively, whereas Ni-ZPNRs are mainly semiconductors with band gaps generally increasing monotonously with the increase in nanoribbon width. These fascinating properties of iron-group atom terminated ZPNRs indicate their great potential applications in future spintronics, optoelectronics, and information technologies.

Graphical abstract: A first-principles study on zigzag phosphorene nanoribbons passivated by iron-group atoms

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Publication details

The article was received on 05 Jul 2017, accepted on 29 Aug 2017 and first published on 29 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP04511E
Citation: Phys. Chem. Chem. Phys., 2017,19, 25441-25445
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    A first-principles study on zigzag phosphorene nanoribbons passivated by iron-group atoms

    N. Chen, Y. Wang, Y. Mu, Y. Fan and S. Li, Phys. Chem. Chem. Phys., 2017, 19, 25441
    DOI: 10.1039/C7CP04511E

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