Mechanical behavior of gallium nitride nanosheets using molecular dynamics

Abstract

Gallium nitride (GaN) nanostructures have applications in optoelectronics and other allied nanoelectronic devices like nanosensors and nanogenerators. The stability and reliability of a GaN nanosheet is related to its mechanical behavior under external loads. The presence of defects influences the mechanical behavior of such structures. In this article, classical molecular dynamics simulations were performed by employing the Stillinger–Weber potential on a system of single layer nanosheet of GaN containing single and double atomic vacancy defects. The stress–strain responses show that, the fracture limit decreases due to the presence of such defects when compared with pristine GaN nanosheets. The fracture process of such nanosheet with single atomic vacancy has been illustrated. The effect of separation distance of the divacancies on the fracture stress, fracture strain and the Young’s modulus were investigated. In addition, the effect of strain rates on the failure stress and strain of pristine GaN nanosheet has also been studied.