Journal
PROCEEDINGS OF THE TWELFTH EAST ASIA-PACIFIC CONFERENCE ON STRUCTURAL ENGINEERING AND CONSTRUCTION (EASEC12)
Volume 14, Issue -, Pages -Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.proeng.2011.07.300
Keywords
Carbon nanotube; Deformation; Band gap; Strength; Atomistic simulation
Ask authors/readers for more resources
Application of carbon nanotubes (CNTs) to nanometer-scale electronic devices of the next generation is being highly expected owing to their prominent electronic properties and mechanical and chemical stability. Controlling local strain is a key issue to design and realize such devices because of the interplay between mechanical and electronic properties in carbon nanotubes. In this study, we performed semi-empirical tight-binding band calculation of single-walled carbon nanotubes (SWCNTs) with various chiral structures to investigate the deformation behavior and its relation to electronic properties. Firstly, we performed simulation of SWCNTs subject to axial tension, which is one of the simplest deformation modes, to investigate their mechanical properties and change in band gap energies. Pristine SWCNTs can hold high tensile strain. SWCNTs show transition between semiconducting and metallic features during tension, and the transition behavior depends on the chirality of the nanotubes. Secondly, we investigated the mechanical and electronic properties of SWCNTs under radial compression, as it is relatively easy to apply such deformation, for example by moving an AFM tip to a nanotube lying on a plate. SWCNTs are robust under large compression showing no bond breaking or rebonding. The mechanism of the peculiar elastic behavior is discussed. CNTs that have finite band gap energies (semiconducting) at unstrained state show transition to metallic state under radial compression (C) 2011 Published by Elsevier Ltd.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available