Magnetic impurities in graphane with dehydrogenated channels
arXiv:1210.0465 · doi:10.1103/PhysRevB.85.155426
Abstract
We have investigated the electronic and magnetic response of a single Fe atom and a pair of interacting Fe atoms placed in patterned dehydrogenated channels in graphane within the framework of density functional theory. We have considered two channels: "armchair" and "zigzag" channels. Fully relaxed calculations have been carried out for three different channel widths. Our calculations reveal that the response to the magnetic impurities is very different for these two channels. We have also shown that one can stabilize magnetic impurities (Fe in the present case) along the channels of bare carbon atoms, giving rise to a magnetic insulator or a spin gapless semiconductor. Our calculations with spin-orbit coupling shows a large in-plane magnetic anisotropy energy for the case of the armchair channel. The magnetic exchange coupling between two Fe atoms placed in the semiconducting channel with an armchair edge is very weakly ferromagnetic whereas a fairly strong ferromagnetic coupling is observed for reasonable separations between Fe atoms in the zigzag-edged metallic channel with the coupling mediated by the bare carbon atoms. The possibility of realizing an ultrathin device with interesting magnetic properties is discussed.
References in corpus (32)
- The electronic properties of graphene
- Graphene: Status and Prospects
- Energy Band Gap Engineering of Graphene Nanoribbons
- Energy Gaps in Graphene Nanoribbons
- Half-Metallic Graphene Nanoribbons
- Control of graphene's properties by reversible hydrogenation
- Graphane: a two-dimensional hydrocarbon
- Fluorographene: Two Dimensional Counterpart of Teflon
- Emergence of magnetism in graphene materials and nanostructures
- Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
- Self-passivating edge reconstructions of graphene
- First-principles investigation of graphene fluoride and graphane
- Reversible Fluorination of Graphene: towards a Two-Dimensional Wide Bandgap Semiconductor
- Understanding adsorption of hydrogen atoms on graphene
- Electrically tunable quantum anomalous Hall effect in 5d transition-metal adatoms on graphene
- Accurate electronic band gap of pure and functionalized graphane from GW calculations
- Evidence for Graphene Edges Beyond Zigzag and Armchair
- Structures of Fluorinated Graphenes and Their Signatures
- Graphene to Graphane: A Theoretical Study
- Stability of edge states and edge magnetism in graphene nanoribbons
- Magnetization of Graphane by Dehydrogenation
- Hidden multiferroic order in graphene zigzag ribbons
- Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading
- Graphene as a reversible spin manipulator of molecular magnets
- Metal-terminated Graphene Nanoribbons
- A Systematic Study of Electronic Structure from Graphene to Graphane
- Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation
- Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons
- Edge states and enhanced spin-orbit interaction at graphene/graphane interfaces
- Interedge magnetic coupling in transition-metal terminated graphene nanoribbons
- Magnetization profile for impurities in graphene nanoribbons
- Spin-asymmetric graphene nanoribbons in graphane on silicon dioxide