title: Semiconducting allotrope of graphene.
abstract: From first-principles calculations, we predict a planar stable graphene allotrope composed of a periodic array of tetragonal and octagonal (4, 8) carbon rings. The stability of this sheet is predicted from the room-temperature molecular dynamics study and the electronic structure is studied using state-of-the-art calculations such as the hybrid density functional and the GW approach. Moreover, the mechanical properties of (4, 8) carbon sheet are evaluated from the Young's modulus and intrinsic strength calculations. We find this is a stable planar semiconducting carbon sheet with a bandgap between 0.43 and 1.01 eV and whose mechanical properties are as good as graphene's.
authors.affiliation: Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden. Jawad.Nisar@physics.uu.se
authors.forename: Jawad
authors.initials: J
authors.lastname: Nisar
authors.forename: Xue
authors.initials: X
authors.lastname: Jiang
authors.forename: Biswarup
authors.initials: B
authors.lastname: Pathak
authors.forename: Jijun
authors.initials: J
authors.lastname: Zhao
authors.forename: Tae Won
authors.initials: TW
authors.lastname: Kang
authors.forename: Rajeev
authors.initials: R
authors.lastname: Ahuja
mesh_terms: D003198:Computer Simulation; D055119:Elastic Modulus; D004553:Electric Conductivity; D006108:Graphite / Q000737:chemistry*; D006244:Hardness; D046911:Macromolecular Substances / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D010316:Particle Size; D012666:Semiconductors; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances; D006108:Graphite