APS -APS March Meeting 2017 - Event - Diverse Electronic and Magnetic Properties of Fluorine-Doped Graphene Nanoribbons.

摘要

The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first principles calculations. They arise from the cooperative or competitive relations among the significant F-C bond, the finite-size quantum confinement and the edge structure. Fluorine adatoms can create the p-type metals or the narrow-gap semiconductors, depending on whether the $pi $ bonding is seriously suppressed by the top-site chemical bonding. There exist five kinds of magnetic configurations, namely, the ferromagnetic and non-magnetic systems with the metallic and semiconducting behaviors, and the anti-ferromagnetic semiconductors. The diverse essential properties are clearly revealed in the spatial charge distribution, the spin density, and the density of states (DOS). Specifically, a lot of structures in DOS could be directly verified by the STS measurements.