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.
@article{arxiv.1702.08639,
title = {Fluorination-Enriched Electronic and Magnetic Properties in Graphene Nanoribbons},
author = {Duy Khanh Nguyen and Yu-Tsung Lin and Shih-Yang Lin and Yu-Huang Chiu and Ngoc Thanh Thuy Tran and Ming Fa-Lin},
journal= {arXiv preprint arXiv:1702.08639},
year = {2017}
}