Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: S1.00116 : Large Band Gap in Graphene Induced by Inhomogeneous Mechanical Deformation
Author:
Graphene is a prospective material for future electronics.
However, in order to become useful and work in electronic chips,
graphene should have a semiconducting energy gap. The seemingly
simplest way to induce a gap is to subject the graphene to a
strain. Recently, it was predicted within tight-binding
approximation that by combining shear deformations and
uniaxial strains one can open the gap up at moderate strains
($\sim $12{\%}), well before the elastic limit of the material is
reached. Here, we show with the help of ab-initio calculations
that, in fact, the gap \textit{cannot} be opened up by any kind
of homogeneous deformations smaller that the graphene failure
strain. The gap, however, can be opened up by
\textit{inhomogeneous} deformation, e.g. by the periodic
out-of-plane atomic displacements with an
``amplitude-to-wavelength'' ratio on the order of 0.1, similar to
Ref. [2], which translates roughly to only 10{\%} elongation. The
gap can be quickly pushed to values up to 1 eV by further
increase of strain still far enough from the point of mechanical
failure.
\\[4pt]
[1] G. Cocco, E. Cadelano, and L. Colombo, Phys. Rev. B
\textbf{81}, 241412 (2010).
\\[0pt]
[2] I. Naumov, A. M. Bratkovsky, and V. Ranjan, Phys. Rev. Lett.
\textbf{102}, 217601 (2009).
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.S1.116
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