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arxiv: 1212.5422 · v3 · pith:UJFSMYUWnew · submitted 2012-12-21 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci

Getting through the nature of silicene: sp2-sp3 two-dimensional silicon nanosheet

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-sci
keywords distortedsp2-sp3silicontwo-dimensionalab-initioassignedbehavecalculations
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By combining experimental techniques with ab-initio density functional theory calculations, we describe the Si/Ag(111) two-dimensional system in terms of a sp2-sp3 crystalline form of silicon characterized by a vertically distorted honeycomb lattice. We show that 2D sp2-sp3 Si NSs are qualified by a prevailing Raman peak which can be assigned to a graphene-like E2g vibrational mode and that highly distorted superstructures are semiconductive whereas low distorted ones behave as semimetals.

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