Abstract
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.
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