Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 37, Pages 25319-25323Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cp04828a
Keywords
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Funding
- National Natural Science Foundation of China [11674400, 11374373]
- Doctoral Fund of the Ministry of Education of China [20120162110020]
- Natural Science Foundation of Hunan Province of China [13JJ2004]
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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.
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