Structure and Elastic Modulii of Silicon Nanotubes

Based on the assumption that sp3 hybridization is more stable in bulk silicon, this study is a step forward in understanding the structures and mechanical properties of silicon nanotubes (SiNT). Using the well tested form of Tersoff potential we have calculated cohesive energy and other parameters for SiNT of various diameters and chiralities. Using this potential, the results obtained for bulk silicon are satisfactory, so we expect that the same potential would work well with SiNT as well. We calculated Young’ modulus and shear modulus for SiNT. Young’s modulus lies in the range of 100- 200 GPa which is about 10-20 times lower than CNT and shear modulus lies between 200-300 GPa. This work shall motivate further theoretical and experimental work in the field of nanostructures.