Mechanical Instabilities in 2D-SiC with Defects

Abstract

Elasticity of material is important in understanding the elastic deformation, to flexure, to strain softening. Elastic properties provide the measure of resistance of a system to elastic deformation thus validating its structural stability. Understanding the elasticity of a material is important in understanding their response to any external perturbations. This is required for their synthesis and practical applications. Mechanical stability is determined through the knowledge of second order elastic constants (SOEC) and the higher order elastic constants are necessary to understand the non-linear, anharmonic behaviors. A material is said to be mechanically stable satisfying the Born stability criteria. Here, 2D-SiC, a silicene derivative is introduced with point and topological defects to understand its variation in mechanical properties. Defects namely, mono-, bi- and Stone-Wales types are incorporated into SiC. Computed values of elastic constants implied mechanical instability for C removed monovacancy. All other configurations implied mechanical stability satisfying Born criteria. © 2023 American Institute of Physics Inc.. All rights reserved.