Diameter dependent geometrical and electrical properties of zigzag HgSe nanotubes: a density functional study

Using density functional theory, evolution of geometrical and electrical properties like wall width, binding energy, strain energy, band structure, density of states etc. of several zigzag HgSe nanotubes with diameters in the range of 11.59 to 21.74$\mathring{\mathrm{A}}$ are systematically investigated. It is noted that the walls of the nanotubes are gradually becoming thin with increasing tube diameter. This study reveals that the stability of the zigzag HgSe nanotube increases with increasing diameter. It is also perceived that zigzag HgSe nanotubes obey classical elasticity law. Band structure analysis reflects that all the zigzag HgSe nanotubes are direct band gap semiconductors and their band gaps slowly decrease with increasing diameter.