Distortion and electric field control of band structure of silicene

Abstract

Density functional theory with local density approximation for exchange and correlation functional is used to tune the electronic band structure of silicene monolayer. The cohesive energy of free standing monolayer is increasing (decreasing) with external electric field (distortion). Electrons in silicene behave like Dirac fermions, when the bond angle between the Si atoms is larger than $\sim 102^0$. Large distortions destroy the electronic structure of silicene and silicene is no longer a semi-metallic material, and the distorted silicene acts like an $n$-doped system. Electric field opens a band gap around $K$ point in the Brillouin zone, which increases with electric field. The bond angle between the Si atoms is a key player to determine the presence or absence of Dirac cones in silicene.

Europhysics Lett. Accepted (2014)

References in corpus (6)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Non-adiabatic Kohn-anomaly in a doped graphene monolayer
• Does Silicene on Ag(111) Have a Dirac Cone?
• Electronic Structure and Quasiparticle Band Gap of Silicene Structures
• Intrinsic Magnetism in Nanosheets of SnO${}_2$: A First-principles Study

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