First principles study of electronic structure and carrier mobility in β-armchair antimony nanotubes

Publication date: Available online 11 July 2018Source: Physics Letters AAuthor(s): Shilpa Singh, Sanjeev K. Gupta, Yogesh Sonvane, P.N. GajjarAbstractIn recent work, we have investigated the structure and stability of β-armchair antimony nanotubes (SbNT) using density functional theory (DFT). We studied electronic properties like electronic band structure, density of states (DOS) and mechanical properties such as stiffness constant, Poisson's ratio, and mechanical strength for these nanotubes. We found that these nanotubes are energetically stable and semiconducting in nature with band-gap varying between 1.32 eV to 1.47 eV. We have also calculated effective mass and carrier mobility for these nanotubes. Furthermore, stiffness constant and mechanical strength of these nanotubes increases with increase in diameter. While, (4,4) nanotube shows anomalously higher strength than other nanotubes. The results of effective mass and carrier mobility for these nanotubes shows that electrons have higher effective mass and therefore lesser mobility than holes for most of the nanotubes. Our calculations show that β-armchair antimony nanotubes (SbNT) could be use in nano-electronics.

Source: Physics Letters A - July 12, 2018 Category: Physics Source Type: research