Tunable band gap and magnetism in C 2x-(BN) y sheets and ribbons

Tang, Chun, Kou, Liangzhi, & Chen, Changfeng (2012) Tunable band gap and magnetism in C 2x-(BN) y sheets and ribbons. Chemical Physics Letters, 523, pp. 98-103.

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We predict using first-principles calculations that recently synthesized C-BN nanostructures exhibit rich magnetic and electronic properties that are sensitive to system dimensionality and chirality. Due to different C-B(N) pz-orbital hybridization at the interface, two-dimensional zigzag C-BN sheets and one-dimensional zigzag nanoribbons show weak and strong magnetism respectively. Moreover, the band gap of the zigzag ribbons shows strong sensitivity to the edge magnetism and the BN concentration. For armchair systems, the band gap of the C-BN sheets and ribbons exhibits distinct variation trends with the changing BN concentration, correlating with the width of the adjacent graphene nanoribbon.

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11 citations in Scopus
11 citations in Web of Science®
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ID Code: 98221
Item Type: Journal Article
Refereed: Yes
DOI: 10.1016/j.cplett.2011.12.014
ISSN: 0009-2614
Divisions: Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 31 Aug 2016 02:59
Last Modified: 01 Sep 2016 00:45

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