Magnetic field- and light-driven spin molecular logic gates: A first-principles study
We design a novel combinational molecular device consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule with carbon nanotube bridge and electrode, and investigate its spin-polarized transport properties using density functional theory and non-...
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Published in | Physica. E, Low-dimensional systems & nanostructures Vol. 121; p. 114130 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
01.07.2020
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Subjects | |
Online Access | Get full text |
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Summary: | We design a novel combinational molecular device consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule with carbon nanotube bridge and electrode, and investigate its spin-polarized transport properties using density functional theory and non-equilibrium Green's function formalism. The results show the spin-polarized currents are strongly dependent on the magnetic field and light modulations. Perfect spin filtering and large switching effects are realized. The results are explained by spin-resolved transmission spectra, energy levels of molecular projected self-consistent Hamiltonian orbitals, and their spatial distributions. Based on the spin-polarized transport properties, we propose spin molecular AND, OR and NOT gates.
Magnetic field- and light-driven spin molecular AND, OR and NOT gates are designed based on the spin-polarized transport properties of a combinational molecular device consisting of a planar four-coordinate Fe molecule and a 15,16-dinitrile dihydropyrene/cyclophanediene molecule with carbon nanotube bridge and electrode. [Display omitted]
•Spin-polarized transport properties of a novel combinational molecular device are investigated.•Spin-polarized currents are strongly dependent on the external magnetic field and light modulations.•Perfect spin filtering and large switching effects are realized.•Magnetic field- and light-driven spin molecular AND, OR and NOT gates are designed. |
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ISSN: | 1386-9477 1873-1759 |
DOI: | 10.1016/j.physe.2020.114130 |