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Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations

Li, Feng; Zhu, Zhonghua; Yao, Xiangdong; Lu, Gaoqing; Zhao, Mingwen; Xia, Yueyuan; Chen, Ying

Description

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.

CollectionsANU Research Publications
Date published: 2008-03-14
Type: Journal article
URI: http://hdl.handle.net/1885/16006
Source: Applied Physics Letters
DOI: 10.1063/1.2894507

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