J. Phys. Soc. Jpn. 80, 044712 (2011) [5 Pages]

Magnetism in Dehydrogenated Armchair Graphene Nanoribbon

+ Affiliations
1Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa 920-1192, Japan2Faculty of Mathematics and Physics, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192, Japan3Collaborative Research Center for Frontier Simulation Software for Industrial Science, Institute of Industrial Science, University of Tokyo, Meguro, Tokyo 153-8503, Japan

Although the zigzag graphene nanoribbon attracts scientific interest because of its magnetic properties, the study of the magnetism of the armchair graphene nanoribbons (AGNRs) is insufficient. By using first-principles calculations, we find that the magnetic state of dehydrogenated AGNRs is stable in a wide range of electron doping. The spin polarization originates from the localized edge state around the Brillouin zone boundary. In the case of field effect transistor doping, some of the electrons injected into indirect-gap AGNRs induce half-metallicity and heavily doped direct-gap AGNRs are antiferromagnetic. We also find that nitrogen doping produces ferromagnetic insulators and half-metals.

©2011 The Physical Society of Japan