Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field
Resource
Nanotechnology 15 (2004) 1837–1843
Journal
Nanotechnology
Journal Volume
15
Journal Issue
2004
Pages
-
Date Issued
2004-11-18
Date
2004-11-18
Author(s)
DOI
246246/2006111501211839
Abstract
The electronic structures of carbon (C) and boron nitride (BN) nanotubes
under a transverse electric field were investigated through the first-principles
pseudopotential density-functional theory (DFT) calculations. It was found
that band gap modifications occur both in the semiconducting C and BN
nanotubes under an external electric field by inducing a
semiconductor–metal transition. The variations of the band gap sizes with
transverse electric fields are very different between C and BN nanotubes. In
the semiconducting C nanotube, a sharp semiconductor–metal transition
does not occur until a threshold electric field is achieved; the BN nanotube,
on the other hand, shows a gradual reduction of the band gap size once an
external electric field is applied due to the larger ionicity of BN bonds. In
addition, the semiconductor–metal transition in both C and BN nanotubes
occurs at a lower value of electric field with increasing diameter. The ability
to tune the band gap in both C and BN nanotubes by an external electric
field provides the possibility for future electronic and electro-optic
nanodevice applications.
Publisher
Taipei:National Taiwan University Dept Material Sci & Engn
Type
journal article
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