Spin-polarized gapped Dirac spectrum of unsupported silicene

Abstract

We study effects of the spin–orbit interaction and the atomic reconstruction of silicene on its electronic spectrum. As an example we consider unsupported silicene pulled off from Pb(111) substrate. Using first principles density functional theory we show that the inversion symmetry broken arrangement of atoms and the spin–orbit interaction generate a spin-polarized electronic spectrum with an energy gap in the Dirac cone. These findings are particularly interesting in view of the quantum anomalous and quantum valley Hall effects and should be observable in weakly interacting silicene-substrate systems.