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The graphene-like two-dimensional (2D) silicon carbide or siligraphene hasattracted remarkable attentions, owing to its fascinating physical properties.Nevertheless, the first high-quality siligraphene, i.e., monolayer Si9C15 wassynthesised very recently, which exhibits an excellent semiconductingbehaviour. In this work, we investigate the mechanical properties of Si9C15siligraphene by using atomistic simulations including density functional theory(DFT) calculations and molecular dynamics (MD) simulations. Both methodsconfirm the existence of intrinsic negative Poisson's ratios in Si9C15siligraphene, which, as illustrated by MD simulations, is attributed to thetension-induced de-wrinkling behaviours of its intrinsic rippled configuration.Different de-wrinkling behaviours are observed in different directions ofSi9C15 siligraphene, which result in the anisotropy of its auxetic property.The fracture property of Si9C15 siligraphene is similarly anisotropic, butrelatively large fracture strains are observed in different orientations,indicating the stretchability of Si9C15 siligraphene. The stretchabilitytogether with the strain-sensitive bandgap of Si9C15 siligraphene observed inDFT calculations indicates the effectiveness of strain engineering inmodulating its electronic property. The combination of unique auxetic property,excellent mechanical property and tunable electronic property may render Si9C15siligraphene a novel 2D material with multifunctional applications.

Intrinsic auxeticity and mechanical anisotropy of Si9C15 siligraphene