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Ordered Short-Range Ripple Effects in Structures of Silicenes: Role of Puckering in the Aromatic Rings

2010/03/27 by Ayan Datta, Datta, Ayan
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci #physics.chem-ph

paper · pdf · doi:10.48550/arxiv.1003.5270

3 page, 4 figures

arxiv created 2010/03/27 · arxiv updated 2010/03/30

Abstract

Structural and electronic properties of the all-Si analogue of graphene, silicene have elucidated through DFT calculations. Silicene differs considerably from graphene in being `chair-type' puckered in each 6-membered ring which leads to ordered ripples across the surface. Binding energies suggest stability for such rippled silicenes and are predicted to behave as a finite gap semi-conductor with electron-hole symmetry quenched. Inter-layer coupling between the silicenes is suggested as the mechanism for the formation of the bulk-Si in its only known diamond form.

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