Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations
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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. (c) 2008 American Institute of Physics.
Applied Physics Letters
Physical Chemistry of Materials
Solid State Chemistry