title: Geometric and electronic properties of edge-decorated graphene nanoribbons.
abstract: Edge-decorated graphene nanoribbons are investigated with the density functional theory; they reveal three stable geometric structures. The first type is a tubular structure formed by the covalent bonds of decorating boron or nitrogen atoms. The second one consists of curved nanoribbons created by the dipole-dipole interactions between two edges when decorated with Be, Mg, or Al atoms. The final structure is a flat nanoribbon produced due to the repulsive force between two edges; most decorated structures belong to this type. Various decorating atoms, different curvature angles, and the zigzag edge structure are reflected in the electronic properties, magnetic properties, and bonding configurations. Most of the resulting structures are conductors with relatively high free carrier densities, whereas a few are semiconductors due to the zigzag-edge-induced anti-ferromagnetism.
authors.affiliation: Department of Physics, National Cheng-Kung University, Tainan 701, Taiwan.
authors.forename: Shen-Lin
authors.initials: SL
authors.lastname: Chang
authors.affiliation: Department of Physics, National Cheng-Kung University, Tainan 701, Taiwan.
authors.forename: Shih-Yang
authors.initials: SY
authors.lastname: Lin
authors.affiliation: Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan.
authors.forename: Shih-Kang
authors.initials: SK
authors.lastname: Lin
authors.affiliation: Graduate Institute of Applied Physics, National Chengchi University, Taipei 116, Taiwan.
authors.forename: Chi-Hsuan
authors.initials: CH
authors.lastname: Lee
authors.affiliation: Department of Physics, National Cheng-Kung University, Tainan 701, Taiwan.
authors.forename: Ming-Fa
authors.initials: MF
authors.lastname: Lin