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Magnetism of C Adatoms on BN Nanostructures: Implications for Functional Nanodevices

Li, Jia; Zhou, Gang; Chen, Ying; Gu, Bing-Lin; Duan, Wenhui

Description

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...[Show more]

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
URI: http://hdl.handle.net/1885/53160
Source: Journal of the American Chemical Society
DOI: 10.1021/ja805632p

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