2017/02/28 by Nguyen, Duy Khanh, Lin, Yu-Tsung, Lin, Shih-Yang +3
#FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · doi:10.48550/arxiv.1702.08639
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 chemical bonds, finite-size quantum confinement and edge structure. There exist C-C, C-F, and F-F bonds with the multi-orbital hybridizations. Fluorine adatoms can create the p-type metals or the concentration- and distribution-dependent semiconductors, depending on whether the π bonding is seriously suppressed by the top-site chemical bonding. Furthermore, five kinds of spin-dependent electronic and magnetic properties cover the non-magnetic and ferromagnetic metals, the non-magnetic semiconductors, and the anti-ferromagnetic semiconductors with/without the spin splitting. The diverse essential properties are clearly revealed in the spatial charge distribution, the spin density, and the orbital-projected density of states.