Theoretical study of the structural and electronic properties of GaSe nanotubes

Publisher Website
Google Scholar
Abstract
We predict the formation of GaSe nanotubes from an energetic argument which employs pseudopotential density functional theory methods. The strain energy of GaSe nanotubes is found to be comparable to existing carbon nanotubes. Based on this energetic comparison, we expect GaSe nanotubes with diameters of 40–48 Å to form. The energy gap of these nanotubes is predicted to decrease from the bulk value as the nanotubes get smaller. These calculations demonstrate that the synthesis of GaSe tubes would yield interesting new materials which would allow further studies of the properties of nanotubes and expand their applications. DOI: http://dx.doi.org/10.1103/PhysRevB.58.R4277 © 1998 The American Physical Society