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We examine the possibility of using graphene nanoribbons (GNRs) with directly substituted chromium atoms as spintronic device. Using density functional theory, we simulate a voltage bias across a constructed GNR in a device setup, where a magnetic dimer has been substituted into the lattice. Through this first principles approach, we calculate the electronic and magnetic properties as a function of Hubbard U, voltage, and magnetic configuration. By calculating of the total energy of each magnetic configuration, we determine that initial antiferromagnetic ground state flips to a ferromagnetic state with applied bias. Mapping this transition point to the calculated conductance for the system reveals that there is a distinct change in conductance through the GNR, which indicates the possibility of a spin valve. We also show that this corresponds to a distinct change in the induced magnetization within the graphene.
We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene syste
In this study, we examine the mechanism of nanopore-based DNA sequencing using a voltage bias across a graphene nanoribbon. Using density functional theory and a non-equilibrium Greens function approach, we determine the transmission spectra and curr
A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of graphene nanori
Matrix elements of electron-light interactions for armchair and zigzag graphene nanoribbons are constructed analytically using a tight-binding model. The changes in wavenumber ($Delta n$) and pseudospin are the necessary elements if we are to underst
In this study, we investigate the isolated magnetic interactions between two identical Fe atoms divacantly-substituted into graphene. Using density functional theory, we simulated the electronic and magnetic properties for a supercell of graphene wit