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Proceedings Paper

Sensing mechanical deformation in carbon nanotubes by electrical response: a computational study
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Paper Abstract

Recent experimental advances have made carbon nanotubes promising material for utilizing as nano-electro-mechanical systems (NEMS). The key feature of CNT-based NEMS is the ability to drastically change electrical conductance due to a mechanical deformation. The deformation effects can be divided into two major groups: bond stretching of sp2 coordinated nanotubes and transition from sp2 to sp3 coordination. The purpose of this work is to review the change in electrical response of nanotubes to different types of mechanical deformation. The modeling consists of a combination of universal force-field molecular dynamics (UFF), density functional theory (DFT) and Green's function theory. We show that conductance of metallic carbon nanotubes can decrease by 2-3 orders of magnitude, when deformed by an AFM tip, but is insensitive to bending. These results can explain the experiment of Ref. [1]. Such a decrease is chirality dependent, being maximum for zigzag nanotubes. In contrast, twisting and radial deformation result in bandgap openning only in armchair nanotubes. In addition, radial deformation of armchair nanotubes leads to dramatic oscillations of conductance.

Paper Details

Date Published: 29 December 2004
PDF: 13 pages
Proc. SPIE 5593, Nanosensing: Materials and Devices, (29 December 2004); doi: 10.1117/12.571306
Show Author Affiliations
Alexei Svizhenko, NASA Ames Research Ctr. (United States)
Hatem Mehrez, NASA Ames Research Ctr. (United States)
Anat M. P. Anantram, NASA Ames Research Ctr. (United States)
Amitesh Maiti, Accelrys, Inc. (United States)

Published in SPIE Proceedings Vol. 5593:
Nanosensing: Materials and Devices
M. Saif Islam; Achyut K. Dutta, Editor(s)

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