A Short Review on the Theoretical Studies of Silicene

Silicene, an atomically thin monolayer allotrope of silicon, had emerged as a prominent topic in condensed matter physics and material science due to its novel properties and promising potential applications. Although challenges exist in fabricating freestanding silicene because of its sensitivity to the conventional environment, its theoretical study continues to develop intensively. This short review highlights the progress made in the ab initio simulations of silicene, such as geometry optimization of silicene and its electrical structure and physical characteristics including optical properties, topological properties and mechanical behavior. The theories and methods used for the theoretical studies of silicene could provide a framework for investigating other one-atom-thick two-dimensional materials with Archimedean lattice structures.