Spin-polarized transport properties and spin molecular Boolean logic gates in planar four-coordinate Fe complex-based molecular devices with carbon nanotube bridges and electrodes

Abstract

Based on density functional theory combined with Keldysh non-equilibrium Green’s function formalism, we investigate the spin-polarized transport properties of planar four-coordinate Fe complexes-based molecular devices with carbon nanotube bridges and electrodes. The results show that these systems can exhibit perfect spin filtering, large giant magnetoresistance and low-bias negative differential resistance effects with the external magnetic field modulation. The underlying mechanism is analyzed by spin-resolved transmission spectra, projected density of states, and spatial distributions of corresponding molecular projected self-consistent Hamiltonian orbitals. On the basis of these intriguing transport properties, we further design basic spin molecular Boolean logic gates, such as YES, NOT, AND, NAND, XOR, NXOR, OR and NOR logic gates.