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Title: Ab initio study of electronic and optical behavior of two-dimensional silicon carbide
Authors: Lin, Xiao
Lin, Shisheng
Xu, Yang
Hakro, Ayaz Ali
Hasan, Tawfique
Zhang, Baile
Yu, Bin
Luo, Jikui
Li, Erping
Chen, Hongsheng
Keywords: DRNTU::Engineering::Materials::Photonics and optoelectronics materials
Issue Date: 2013
Source: Lin, X., Lin, S., Xu, Y., Hakro, A. A., Hasan, T., Zhang, B., et al. (2013). Ab initio study of electronic and optical behavior of two-dimensional silicon carbide. Journal of materials chemistry C, 1(11), 2131-2135.
Series/Report no.: Journal of materials chemistry C
Abstract: Two-dimensional graphene-like silicon carbide (2d-SiC) has emerged as an intriguing new class of layered nanostructure. Using density functional theory, key electronic and optical properties of 2d-SiC nanosheets, in particular, of mono- and bilayer 2d-SiC, are investigated. The properties of these nanosheets are found to be highly dependent on their physical thickness and geometric configuration. Multilayer 2d-SiC exhibits an indirect bandgap. We find that monolayer 2d-SiC, on the other hand, has a direct bandgap ([similar]2.5 eV) that can be tuned through in-plane strain. We also show that the optical conductivity of multilayer 2d-SiC is sensitive to the interlayer spacing. The results suggest that unlike graphene, silicene and even multilayer 2d-SiC, monolayer 2d-SiC could be a good candidate for optoelectronic devices such as light-emitting diodes.
DOI: 10.1039/c3tc00629h
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SPMS Journal Articles

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