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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title = "Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations",

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.",

author = "Feng Li and Zhonghua Zhu and Xiangdong Yao and Gaoqing Lu and Mingwen Zhao and Yueyuan Xia and Ying Chen",

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AU - Li, Feng

AU - Zhu, Zhonghua

AU - Yao, Xiangdong

AU - Lu, Gaoqing

AU - Zhao, Mingwen

AU - Xia, Yueyuan

AU - Chen, Ying

PY - 2008

Y1 - 2008

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/40849120893

U2 - 10.1063/1.2894507

DO - 10.1063/1.2894507

M3 - Article

SN - 0003-6951

VL - 92

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 10

M1 - 102515

ER -

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

Abstract

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