Related papers: Magnetic impurities in graphane with dehydrogenate…
The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…
We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin…
Spin-dependent electronic transport properties of Fe-terminated zig-zag graphene nanoribbons (zGNR) have been studied using first-principles transport simulations. The spin configuration of proposed zGNR junction can be controlled with…
A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non- magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In a first step we calculate the electronic structure…
A principal motivation to develop graphene for future devices has been its promise for quantum spintronics. Hyperfine and spin-orbit interactions are expected to be negligible in single-layer graphene. Spin transport experiments, on the…
Describing by a Hubbard type of model a thin armchair graphene ribbon in the armchair hexagon chain limit, one shows in exact terms, that even if the system does not have flat bands at all, at low concentration a mesoscopic sample can have…
Room temperature ferromagnetic materials composed only by light elements like carbon, hydrogen and/or nitrogen, so called carbon magnet, are very attractive for creating new material categories both in science and industry. Recently several…
The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…
Electron transport in a disordered graphene nanoribbon with zigzag edges is crucially affected by a perfectly conducting channel (PCC), which is stabilized if intervalley scattering is ignorable. In the presence of such a PCC, the…
We investigate the conductivity $\sigma$ of graphene nanoribbons with zigzag edges as a function of Fermi energy $E_F$ in the presence of the impurities with different potential range. The dependence of $\sigma(E_F)$ displays four different…
The effects of intrinsic spin-orbit and Coulomb interactions on low-energy properties of finite width graphene armchair ribbons are studied by means of a Dirac Hamiltonian. It is shown that metallic states subsist in the presence of…
We report a first principles study of spin-transport under finite bias through a graphene-ferromagnet (FM) interface, where FM=Co(111), Ni(111). The use of Co and Ni electrodes achieves spin efficiencies reaching 80% and 60%, respectively.…
Electrons in two-dimensional graphene sheets behave as interacting chiral Dirac fermions and have unique screening properties due to their symmetry and reduced dimensionality. By using a combination of scanning tunneling spectroscopy…
The electronic structure, bonding and magnetism in graphene containing vacancies are studied using density-functional methods. The single-vacancy graphene ground state is spin polarized and structurally flat. The unpolarized state is non…
Low-temperature electronic conductance in nanocontacts, scanning tunneling microscopy (STM), and metal break junctions involving magnetic atoms or molecules is a growing area with important unsolved theoretical problems. While the detailed…
We investigate the electronic band structure of an undoped graphene armchair nanoribbon. We demonstrate that such nanoribbon always has a gap in its electronic spectrum. Indeed, even in the situations where simple single-electron…
The dynamics of a single impurity interacting with a many particle background is one of the central problems of condensed matter physics. Recent progress in ultracold atom experiments makes it possible to control this dynamics by coupling…
Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…
Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…
The indirect exchange interaction between magnetic impurities localized in a graphene plane is considered theoretically, with the influence of intrinsic spin-orbit interaction taken into account. Such an interaction gives rise to an energy…