Hole doped Dirac states in silicene by biaxial tensile strain

T. P. Kaloni; Y. C. Cheng; U. Schwingenschlögl

doi:10.1063/1.4794812

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arXiv · 1310.7411

Hole doped Dirac states in silicene by biaxial tensile strain

T. P. Kaloni·Y. C. Cheng·U. Schwingenschlögl

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Abstract

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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T. P. Kaloni, Y. C. Cheng, U. Schwingenschlögl. 2013-10-28. Hole doped Dirac states in silicene by biaxial tensile strain. https://doi.org/10.1063/1.4794812

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