Stability and electronic structure of GaN nanotubes from density-functional calculations

Seung Mi Lee; Young Hee Lee; Yong Gyoo Hwang; J. Elsner; Dirk Porezag; Thomas Frauenheim

doi:10.1103/PhysRevB.60.7788

Stability and electronic structure of GaN nanotubes from density-functional calculations

Seung Mi Lee, Young Hee Lee, Yong Gyoo Hwang, J. Elsner, Dirk Porezag, and Thomas Frauenheim

Phys. Rev. B 60, 7788 – Published 15 September 1999

Abstract

Density-functional calculations are used to predict the stability and electronic structures of GaN nanotubes. Strain energies of GaN nanotubes are comparable to those of carbon nanotubes, suggesting the possibility for the formation of GaN nanotubes. The zigzag nanotube is a semiconductor with direct band gap, whereas the armchair nanotube has an indirect band gap. The band gaps decrease with decreasing diameter, contrary to the case of carbon nanotubes. We further discuss possible ways of synthesizing GaN nanotubes in conjunction with carbon nanotubes.

Received 30 April 1999

DOI:https://doi.org/10.1103/PhysRevB.60.7788

Authors & Affiliations

Seung Mi Lee

Department of Semiconductor Science and Technology, and Semiconductor Physics Research Center, Jeonbuk National University, Jeonju 561-756, Korea

Young Hee Lee^*

Department of Semiconductor Science and Technology, Department of Physics, and Semiconductor Physics Research Center, Jeonbuk National University, Jeonju 561-756, Korea

Yong Gyoo Hwang