Strain-induced semimetal-metal transition in silicene

The effect of the tensile strain on the electronic structure of the silicene is studied by using first-principles density functional theory. It is found that a semimetal-metal transition occurs when an in-plane strain larger than 7.5% is applied in silicene. The downward movement of the lowest conduction band at Gamma-point, which originates from the weakened interaction between neighboring Si atoms, leads to the transition. The proposed mechanical control of the electronic properties will widen the application of the silicene in Si-based nanotechnology. Copyright (C) EPLA, 2012