Size, vacancy and temperature effects on Young's modulus of silicene nanoribbons

TL;DR

This study investigates how size, vacancies, and temperature influence the Young's modulus of silicene nanoribbons using molecular dynamics simulations, revealing length-dependent increases and complex vacancy effects.

Contribution

It provides new insights into the size, defect, and temperature dependence of Young's modulus in silicene nanoribbons through detailed molecular dynamics analysis.

Findings

Young's modulus increases with ribbon length

Vacancy defects cause complex changes in YM

Temperature effects on YM are nonlinear

Abstract

We report results on the Young's modulus (YM) of defect-free and defective silicene nanoribbons (SNRs) as a function of length and temperature. In this study, we perform molecular dynamics simulations using the Environment-Dependent Interatomic Potential (EDIP) to describe the interaction of the Si atoms. We find that the Young's modulus of pristine and defective SNRs increases with the ribbon length in both chirality directions. It is shown that the Young's modulus of defective SNRs exhibit a complex dependence on the combinations of vacancies. With respect to temperature, we find that YM for SNRs with and without vacancy defects shows a nonlinear behavior and it could be tailoring for a given length and chirality.