Li, FengZhu, ZhonghuaYao, XiangdongLu, GaoqingZhao, MingwenXia, YueyuanChen, Ying2015-10-212015-10-210003-6951http://hdl.handle.net/1885/16006Ab 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.This work was supported by the National Natural Science Foundation of China under Grant Nos. 10547131, 10674099, 50402017, and 10374059 and the National Basic Research 973 Program of China Grant No. 2005CB623602. Financial supports from ARC Australian Research Council linkage international fellowship grant and the University of Queensland Early Career funding are also appreciated. Feng Li also thanks Taishan University for the financial support.http://www.sherpa.ac.uk/romeo/issn/0003-6951..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 21/10/15). Copyright 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Applied Physics Letters and may be found at https://doi.org/10.1063/1.2894507Keywords: Carbon nanotubes; Electronic structure; Fluorination; Magnetic properties; Magnetism; Ab initio calculations; Metal-free magnetic materials; Synthetic route; Boron nitride2008-03-1410.1063/1.28945072015-12-08