MONOLAYER SILICENE APAKAH STABIL? : SIMULASI MENGGUNAKAN FIRST-PRINCIPLES

Manaf, Muhamad Nasruddin and Laksana, Feri Febria and Syamsiro, Mochamad (2023) MONOLAYER SILICENE APAKAH STABIL? : SIMULASI MENGGUNAKAN FIRST-PRINCIPLES. Kepel Press, Yogyakarta.

Text 2023 - MONOLAYER SILICENE APAKAH STABIL SIMULASI MENGGUNAKAN FIRST-PRINCIPLES - Manaf dkk.pdf Download (3MB)

Abstract

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.

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