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Issue 11, 2013

Ab initio study of electronic and optical behavior of two-dimensional silicon carbide

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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 (∼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.

Graphical abstract: Ab initio study of electronic and optical behavior of two-dimensional silicon carbide

Supplementary files

Article information


Submitted
14 Nov 2012
Accepted
23 Jan 2013
First published
24 Jan 2013

J. Mater. Chem. C, 2013,1, 2131-2135
Article type
Paper

Ab initio study of electronic and optical behavior of two-dimensional silicon carbide

X. Lin, S. Lin, Y. Xu, A. A. Hakro, T. Hasan, B. Zhang, B. Yu, J. Luo, E. Li and H. Chen, J. Mater. Chem. C, 2013, 1, 2131 DOI: 10.1039/C3TC00629H

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