Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations
journal contributionposted on 14.03.2008, 00:00 authored by F Li, Z Zhu, X Yao, G Lu, M Zhao, Y Xia, Ying (Ian) ChenYing (Ian) Chen
Ab initio calculations were conducted to investigate the electronic structures and magnetic properties of fluorinated boron nitride nanotube (F-BNNT). It was found that the chemisorption of F atoms on the B atoms of BNNT can induce spontaneous magnetization, whereas no magnetism can be produced when the B and N atoms are equally fluorinated. This provides a different approach to tune the magnetic properties of BNNTs as well as a synthetic route toward metal-free magnetic materials.