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

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

doi:10.1063/1.2894507

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

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

59 Citations (Scopus)

Abstract

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.

Original language	English
Article number	102515
Journal	Applied Physics Letters
Volume	92
Issue number	10
DOIs	https://doi.org/10.1063/1.2894507
Publication status	Published - 2008

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abstract = "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.",

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AU - Yao, Xiangdong

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AU - Zhao, Mingwen

AU - Xia, Yueyuan

AU - Chen, Ying

PY - 2008

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AB - 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.

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

Abstract

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