title: Diamondization of chemically functionalized graphene and graphene-BN bilayers.
abstract: In this article, based on first-principles calculations, we systematically study functionalization induced diamondization of graphene bilayer and graphene-BN hybrid bilayer. With single-side functionalization, the diamondized structures are magnetic semiconductors. Interestingly, if both sides of the bilayer are functionalized, diamondization becomes spontaneous without a barrier. On the other hand, when the bottom layer of the bilayer graphene is replaced by a single hexagonal BN layer, the diamondized structure becomes a nonmagnetic metal. The tunable electronic and magnetic properties pave new avenues to construct graphene-based electronics and spintronics devices.
authors.affiliation: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
authors.forename: Long
authors.initials: L
authors.lastname: Yuan
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Li
authors.forename: Jinlong
authors.initials: J
authors.lastname: Yang
authors.forename: Jian Guo
authors.initials: JG
authors.lastname: Hou