Journal
PHYSICS LETTERS A
Volume 382, Issue 38, Pages 2769-2775Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2018.07.046
Keywords
Polyporphyrin nanoribbon; Carbocyclic eight-membered ring; Spin-polarized density functional theory; Bipolar spin-filtering effect
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Funding
- National Natural Science Foundation of China [21673296, 61504171]
- Natural Science Foundation of Hunan Province [2017JJ3410, 2018JJ2481]
- Jiangxi Province [20171BAB211010]
- Master Innovation Fund of Central South University [2017zzts065]
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Combining the density functional theory with the non-equilibrium Green's function, three kinds of polyporphyrin nanoribbons (PPNRs) with different edge configurations have been considered: 1) all carbocyclic eight-membered rings (C8-Rs) located in edge are broken (M1); 2) all C8-Rs located in edge are perfect (M2); 3) partial C8-Rs located in edge are broken, subject to two kinds of configurations, as illustrated by M3 and M4. Calculation results indicate that the completeness of the C8-Rs can influence the electronic structures and transport properties of the nanoribbons. M1 is a nonmagnetic indirect semiconductor, while M2 and M3 are magnetic metals, M4 behaves as the bipolar magnetic semiconductor. Moreover, the spin-dependent transport properties of the two-lead devices based on PPNRs show that the significant spin-filtering effect can be realized in the device with partially broken C8-Rs in edge. Our results indicate that the PPNRs based devices would be suitable for spintronics devices. (C) 2018 Elsevier B.V. All rights reserved.
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