TITLE:
Ab Initio Study of Electronic Properties of a Armchair (7,7) Carbon Nanotube
AUTHORS:
Hamdollah Salehi, Khadigeh Gharbavi
KEYWORDS:
Band Gap; Electronic Structure; WIEN2k; FP-LAPW
JOURNAL NAME:
Advances in Materials Physics and Chemistry,
Vol.2 No.3,
September
28,
2012
ABSTRACT: The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- earized augmented plane wave (FP-LAPW)method in the framework density functional theory (DFT) with the generalized gradient approximation (GGA) were studied. The calculated band structure and density of state of Armchair (7,7) carbon nanotube were in good agreement with theoretical and experimental results.