Mechanical properties of silicon nanowires

作者:Furmanchuk Al' ona; Isayev Olexandr; Dinadayalane Tandabany C; Leszczynska Danuta; Leszczynski Jerzy*
来源:Wiley Interdisciplinary Reviews: Computational Molecular Science , 2012, 2(6): 817-828.
DOI:10.1002/wcms.1108

摘要

Silicon nanowires (SiNWs) are at the top of the list of materials used in conventional electromechanical devices as well as in strained nanotechnology. Both experimental and theoretical studies showed the size-dependent character of mechanical properties of SiNWs. However, the surface contaminations, local surface strains, boundary conditions, native oxide, equipment-induced errors, and the errors caused by postprocessing of results lead to softening of Young%26apos;s modulus and extension of the region where the size dependency is seen by experimentalists. Application of improved potentials or advanced theoretical modeling such as inclusion of explicit treatment of temperature and quantum-mechanical effects allows to show specificity of Young%26apos;s modulus to the size and shape in case of small (width %26lt;4?nm) nanowires. The ductile-brittle transitions of SiNWs at different temperatures are revealed. Some suggestions on postprocessing techniques are discussed.