The influence of covering a germanium nanowire with a single wall carbon nanotube on mechanical properties: A molecular dynamics study

Abstract

Semiconductor nanowires are potential candidates for applications in quantum information processing, Josephson junctions, and field-effect transistors. Therefore, this study focused on the effects of covering a germanium nanowire (GeNW) with a single wall carbon nanotube (CNT) on the stress-strain diagram, failure points, and Young's modulus using molecular dynamics simulations. To describe the interactions between atoms in the system, we used Tersoff potential. Also, a Nose-Hoover thermostat was employed to control temperature of the system. The stress-strain curves of GeNW and GeNW inside CNT (CNT-GeNW) were obtained at various temperatures, radii, and strain velocities. It was found that coverage of GeNW with CNT led to 2–6 fold improved Young's modulus. It was also determined that a significant part of the Young's modulus in CNT-GeNW is due to the presence of CNT. Moreover, we defined the behavior of Young's modulus of GeNW as well as CNT-GeNW in the [100], [110], and [111] crystallography direction and found that Young's modulus decreased with increasing temperature. In addition, by increasing strain velocity, Young's modulus decreased for GeNW but increased for CNT-GeNW. Finally, we observed that when a GeNW is covered by a CNT, its failure point increased as compared with GeNW.