Thursday, July 25, 2013

1307.6324 (J. Liu et al.)

Novel Two-dimensional SiC2 Sheet with Full Pentagon Network    [PDF]

J. Liu, C. Y. He, N. Jiao, H. P. Xiao, K. W. Zhang, R. Z. Wang, L. Z. Sun
We propose a promising two-dimensional nano-sheet of SiC2 (SiC2-pentagon) consisting of tetrahedral silicon atoms and triple-linked carbon atoms in a fully-pentagon network. The SiC2-pentagon with buckled configuration is more favorable than its planar counterpart and previously proposed SiC2-silagraphene with tetra-coordinate silicon atoms; and its dynamical stability is confirmed through phonon analyzing. Buckled SiC2-pentagon is an indirect-band-gap semiconductor with a gap of 1.388 eV. However, its one-dimensional nanoribbons can be metals or semiconductors depending on the edge type, shape, and decoration. Finally, we propose a method to produce the buckled SiC2-pentagon through chemical exfoliation on the beta-SiC(001)-c(2*2) SDB surface.
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