Anisotropy of the Stone-Wales defect and warping of graphene nanoribbons: a first-principles analysis

Bhowmick, Somnath ; Waghmare, Umesh V. (2010) Anisotropy of the Stone-Wales defect and warping of graphene nanoribbons: a first-principles analysis Physical Review B: Condensed Matter and Materials Physics, 81 (15). 155416_1-155416_7. ISSN 1098-0121

[img]
Preview
PDF - Author Version
766kB

Official URL: http://prb.aps.org/abstract/PRB/v81/i15/e155416

Related URL: http://dx.doi.org/10.1103/PhysRevB.81.155416

Abstract

Stone-Wales (SW) defects, analogous to dislocations in crystals, play an important role in mechanical behavior of sp2-bonded carbon based materials. Here, we show using first-principles calculations that a marked anisotropy in the interaction among the SW defects has interesting consequences when such defects are present near the edges of a graphene nanoribbon: depending on their orientation with respect to edge, they result in compressive or tensile stress, and the former is responsible to depression or warping of the graphene nanoribbon. Such warping results in delocalization of electrons in the defect states.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:59351
Deposited On:06 Sep 2011 05:49
Last Modified:18 May 2016 09:57

Repository Staff Only: item control page