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Spin-dependent transport properties of zigzag phosphorene nanoribbons with oxygen-saturated edges

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Abstract

We investigate the electronic structures and electronic transport properties of zigzag phosphorene nanoribbons with oxygen-saturated edges (O-zPNRs) by using the spin-polarized density functional theory and the nonequilibrium Green's function method. The results show that the O-zPNR is an antiferromagnetic (AFM) or ferromagnetic (FM) semiconductor with spins localized at two ribbon edges anti-parallel or parallel with each other. The electronic transmission for the single AFM or FM O-zPNR is zero when a bias voltage is applied to the two electrodes made of the same type O-zPNR. Nonzero transmission arises for the AFM–AFM and FM–FM O-zPNR heterojunctions. The transmission spectrum and the electrical current are fully spin polarized for the FM–FM O-zPNR heterojunction. An in-plane transverse electrical field can effectively manipulate the electronic structure and spin-dependent electronic transport. It induces splitting of the spins of the two edges and makes the AFM O-zPNR become a half metal. Moreover, the transverse electrical field gives rise to the transmission spectrum and the spin polarized electrical current for the AFM–AFM O-zPNR heterojunction. The degree of spin polarization can be tuned by the strength of the transverse field.

Graphical abstract: Spin-dependent transport properties of zigzag phosphorene nanoribbons with oxygen-saturated edges

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Publication details

The article was received on 18 Jul 2017, accepted on 27 Aug 2017 and first published on 29 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP04828A
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Spin-dependent transport properties of zigzag phosphorene nanoribbons with oxygen-saturated edges

    M. Rahman, K. Zhou, Q. Xia, Y. Nie and G. Guo, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP04828A

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