Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices

Li, Jia, Zhou, Gang, Chen, Ying, Gu, Bing-Lin and Duan, Wenhui 2009, Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices, Journal of the american chemical society, vol. 131, no. 5, pp. 1796-1801.

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Title Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices
Author(s) Li, Jia
Zhou, Gang
Chen, Ying
Gu, Bing-Lin
Duan, Wenhui
Journal name Journal of the american chemical society
Volume number 131
Issue number 5
Start page 1796
End page 1801
Total pages 6
Publisher American Chemical Society
Place of publication Washington, DC
Publication date 2009-02-11
ISSN 0002-7863
1520-5126
Summary Spin-polarized density functional calculations reveal that magnetism can be induced by carbon adatoms on boron nitride nanotubes (BNNTs) and BN hexagonal sheets. As a result of the localization of impurity states, these hybrid sp-electron systems are spin-polarized, with a local magnetic moment of 2.0 μB per C adatom regardless of the tube diameter and the bonding between the C atom and the BNNTs/BN sheets. An analysis of orbital hybridization indicates that two valence electrons participate in the bonding and the remaining two electrons of the C adatom are confined at the adsorption site and contribute to the magnetism accordingly. The effective interaction distance between the C-induced magnetic moments is evaluated. In terms of the diffusion barrier and the adsorption energy of C adatoms on the BN nanotubes/ sheets, a fabrication method for BN-C-based functional nanodevices is proposed, and a series of virtual building blocks for functional devices are illustrated.
Language eng
Field of Research 100708 Nanomaterials
Socio Economic Objective 970110 Expanding Knowledge in Technology
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2009, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30029243

Document type: Journal Article
Collection: Institute for Technology Research and Innovation
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