Spin-dependent electronic conduction along zigzag graphene nanoribbons bearing adsorbed Ni and Fe nanostructures

Abstract

Using SMEAGOL, an ab initio computational method that combines the non-equilibrium Green's function formalism with density-functional theory, we calculated spin-specific electronic conduction in systems consisting of single Fe n and Ni n nanostructures (n = 1−4) adsorbed on a hydrogen-passivated zigzag graphene nanoribbon. For each cluster we considered both ferromagnetically and antiferromagnetically coupled ribbon edges (Ferro-F and Ferro-A systems, respectively). Adstructures located laterally on Ferro-A ribbons caused significant transmittance loss at energies 0.6-0.25 eV below the Fermi level for one spin and 0.2-0.4 eV above the Fermi level for the other, allowing the potential use of these systems in transistors to create a moderately spin-polarized current of one or the other sign depending on the gate voltage. Ni 3 and Ni 4 clusters located at the centre of Ferro-F ribbons exhibited a strong spin-filtering effect in a narrow energy window around the Fermi level.

First‐Principles Investigation of Antimonene Nanoribbons for Sensing Toxic NO2 Gas

“…Here, τ L/R ( E , V ) implies coupling coefficients for the left contact and the right contact, whereas G C ( E , V ) and ( E , V ) imply the retarded Green function of the scattering/central region, respectively . The transmission spectra that deliver the current through the scattering/central region, within the limit of zero‐bias voltage, are calculated when integrated over the chemical potentials of the right electrodes and left electrode, i.e.…”

Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents

“…A similar behavior has been predicted for systems in which magnetic adstructures are located laterally on Ferro-A H-ZGNRs. 40 Some deviations from this trend appear due to TM and TM-C states localized above the Fermi level for the majority spin component.…”