Elastic Properties of Ultra-Thin Hydrogenated Silicon Nanowires Based on all Electron Mixed ab initio and Semiempirical Calculations

摘要

The elastic properties of ultra-thin hydrogenated silicon nanowires are determined by electronic structure calculations based on the semiempirical method AMI. By employing the AMI method we were able to extend our study to nanowires of significant lengths. In this work we make use of the methodology used in previous work1 for the study of "magic" nanowires and nanowires which exhibit bending under internal strains, in combination with beam theory.