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Using a combination of first-principles density functional theory and the non-equilibrium Green's function method, we have investigated the electronic transport properties of devices based on an orderly nitrogen-doped armchair graphene nanoribbon under gate voltages. The results show that the gate voltage strongly affects the electronic transport properties of the devices. Strong rectifying behavior...
The molecule zinc methyl phenalenyl (ZMP), which is a neutral planar phenalenyl-based molecule, has been successfully synthesized experimentally, and large magnetic anisotropy was demonstrated when it is grown on the ferromagnetic metal surface [K. V. Raman et al. Nature, 2013, 493, 509]. Here, by using nonequilibrium Green's functions combined with the density functional theory, we investigate the...
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