global-journal-of-science-frontier-research-a-physics-space-science Global Journal of Science Frontier Research - A: Physics & Space Science 0975-5896 2249-4626 Global Journals Publishing Group Incorporated 74599 Ab Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes ValedbagiDr. Sh. IRAN, Islamic Azad University, Tehran, Iran 03 07 2012 12 A6 45 50

The electronic properties of double-wall zinc oxide nanotubes (DWZnONTs) are investigated via density functional theory. The DWZnONTs are separated into two categories¸ where the inner and outer nanotubes are armchair-armchairand zigzag-zigzag single-wall nanotubes. The band structure of the DWZnONTs is calculated. Our results show that the interwall coupling diminishes the energy gap in semiconducting nanotube. We found that the energy gap of DWZnONTs depends on the structure of the inner and outer walls.

 Znic oxide nanotube; Density function theory; Density of states. Full Text

The electronic properties of double-wall zinc oxide nanotubes (DWZnONTs) are investigated via density functional theory. The DWZnONTs are separated into two categories¸ where the inner and outer nanotubes are armchair-armchairand zigzag-zigzag single-wall nanotubes. The band structure of the DWZnONTs is calculated. Our results show that the interwall coupling diminishes the energy gap in semiconducting nanotube. We found that the energy gap of DWZnONTs depends on the structure of the inner and outer walls.