Surface reconstruction and elastic behavior of silicon nanobeams: The impact of applied deformation

Abstract

Using molecular dynamics calculations with a recently developed modified embedded atom method (MEAM) potential, the overall elastic behavior of silicon (100) nanobeams under externally applied strain at room temperature is investigated. As uniaxial tensile strain increases, the stability range of any relevant reconstructions changes, thus, the surface region undergoes a series of reconstructions. In nanostructures, such as nanoplates, nanobeams, and nanowires, this phenomenon is significant and changes the elastic response. The results indicate that the elastic behavior of nanostructures is not only size-dependent, but also load-dependent.