We are currently experiencing intermittent issues impacting performance. We apologize for the inconvenience.
By Topic

Tuning Electronic Structure of Graphene: A First-Principles Study

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

4 Author(s)
Surya, V.J. ; Sch. of Phys., Madurai Kamaraj Univ., Madurai, India ; Iyakutti, K. ; Mizuseki, H. ; Kawazoe, Y.

Based on first-principles study, tuning of electronic structure of graphene is reported. The emergence of band gap in this semimetal can be accomplished through different mechanisms. In this study, we have reported on the band gap modulations in graphene through chemical functionalization with oxygen, under the application of external stress, and through the creation of vacancies. Our study suggests that all these mechanisms alter either electronic properties or both structural and electronic properties of graphene. As a result, these mechanisms completely destroy the nature of massless Dirac fermions of graphene. Also, we report on the effect of static electric field on the band gap in hydrogenated graphene (graphane). The combined action of structural modifications that involves stretching and compression of C-C bonds in the hexagonal network and charge transfer mechanism are responsible for the gap opening in electronic spectrum of graphene, which is essential for the future application of graphene in electronics. The introduction of strain is a nondestructive method when compared to other methods for band gap engineering in graphene.

Published in:

Nanotechnology, IEEE Transactions on  (Volume:11 ,  Issue: 3 )