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Issue 22, 2019
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Modulating the electronic structures of blue phosphorene towards spintronics

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Abstract

Modulation of the electronic and magnetic structure of blue phosphorene nanoribbons to explore the potential application in spintronics is appealing. Using density functional theory in combination with the non-equilibrium Green's function method, the energetic, electronic, magnetic, and spin-resolved transport properties of hydrogenated armchair and zigzag blue phosphorene nanoribbons with surface modification by 3d transition metal atoms (ranging from Sc to Ni) were systematically investigated. The blue phosphorene nanoribbons were found to be highly capable of adsorbing impurity atoms, and the adatoms prefer a 2D growth mode on the nanoribbons. The band structures of the blue phosphorene nanoribbons were effectively modulated by the adatoms: the bandgap dramatically decreased with remarkable spin-polarization, except in the case of Ni. The spin-resolved transport properties of Sc-adsorbed zigzag blue phosphorene nanoribbons were selectively investigated to explore the potential application in spintronics, and a giant magnetoresistance effect of above 500 was found. This work suggests that the surface adsorption of 3d transition metal heteroatoms is a feasible and effective approach to functionalize blue phosphorene nanoribbons for spintronic applications.

Graphical abstract: Modulating the electronic structures of blue phosphorene towards spintronics

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Publication details

The article was received on 26 Mar 2019, accepted on 07 May 2019 and first published on 08 May 2019


Article type: Paper
DOI: 10.1039/C9CP01684H
Phys. Chem. Chem. Phys., 2019,21, 11755-11763

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    Modulating the electronic structures of blue phosphorene towards spintronics

    X. Lu, C. Wang and X. Fu, Phys. Chem. Chem. Phys., 2019, 21, 11755
    DOI: 10.1039/C9CP01684H

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