Hole doped Dirac states in silicene by biaxial tensile strain

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 Grüneisen parameter and demonstrate a strain dependence similar to that of graphene.

10 pages, 5 figures, and 1 table

References in corpus (2)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Uniaxial Strain in Graphene by Raman Spectroscopy: G peak splitting, Gruneisen Parameters and Sample Orientation

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