MONOLAYER SILICENE APAKAH STABIL? : SIMULASI MENGGUNAKAN FIRST-PRINCIPLES

Research about 2D materials has attracted many attentiton since the
successfull of encapsulation of Graphene for Field Effect Transistor.
The Graphene shows remarkable properties due to its linear
dispersion of the electronic structure. Silicene, the Graphene-like
2D allotrope of silicon has attracted a lot attention since decade ago
due to remarkable properties same with the Graphene. Silicene has
a benefit instead of Graphene due to easily integrated with current
silicon technology. Silicene also form as a slab with buckling compare
with Graphene which is just a planar slab. The buckling structure
of silicene and its spin orbit coupling induce controllable opening
band gap using Electric Field, which is promising for topological
quantum computing. Unfortunately, normally silicene growth on
substrate such as Ag(111), Au(111), ZrC(111) and never produce in
freestanding state. In this paper we study theoretically the stability
of freestanding silicene. We use a first-principles calculation to
determine the atomic configuration of silicene with a variation lattice
constant. Silicene energytically shows unstalbe for freestanding state.
We found that the buckling of silicene got an influence from the size
of a lattice constant. Therefore, the buckling and the lattice constant
of silicene are merely influenced by the substrate.