Properties of armchair ZnTe nanotubes: A density functional study

Abstract Using density functional theory we present the structural and electrical properties of various armchair ZnTe nanotubes. The structural and electrical properties studied include wall thickness, binding energy, curvature energy, band gap, work function, charge transfer etc. Curvature energy calculations show that the all the nanotubes follow classical elasticity theory. The study further reveals that the wall thickness, band gap as well as work function decreases with the increase of tube diameter. We believe that the results of this study will play a significant role in developing suitable band gap material for technological applications and for designing desirable field emission devices.