By Topic

Electronic structures of nitrogen doped single walled carbon nanotubes with uniaxial strain: Ab initio method approach

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$31 $13
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

2 Author(s)
Hong-Lae Park ; Hanyang Univ., Seoul ; Chung, Yong-Chae

In this study, the electronic structure of nitrogen doped single walled carbon nanotubes (SWCNT) with or without uniaxial strain was quantitatively investigated using the ab initio method. The Vienna ab initio simulation package (VASP) has been employed to perform the ab initio total energy calculations based on the projector augmented wave method and the generalized gradient approximation. Proper self-consistent solutions were obtained by employing an 12x2x2 Monkhorst-Pack k-point grid and the kinetic energy cutoff of 500 eV. Calculation were performed for two armchair tube, the (5,5) and (10,10) CNT. Consequently, the change of electronic structure of deformed CNT could be resulted from the uniaxial strain.

Published in:

Microprocesses and Nanotechnology, 2007 Digest of papers

Date of Conference:

5-8 Nov. 2007