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arxiv: 1310.7411 · v2 · pith:D3INWPTWnew · submitted 2013-10-28 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci

Hole doped Dirac states in silicene by biaxial tensile strain

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-sci
keywords strainsilicenebiaxialdemonstratediracholestatestensile
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The effects of biaxial tensile strain on the structure, electronic states, and mechanical properties of silicene are studied by ab-initio calculations. Our results show that up to 5% strain the Dirac cone remains essentially at the Fermi level, while higher strain induces hole doping because of weakening of the Si$-$Si bonds. We demonstrate that the silicene lattice is stable up to 17% strain. It is noted that the buckling first decreases with the strain (up to 10%) and then increases again, which is accompanied by a band gap variation. We also calculate the Gr\"uneisen parameter and demonstrate a strain dependence similar to that of graphene.

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