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Mechanically changed band gap of single walled carbon nanotube: a third neighbor tight-binding approach
Authors:Mehdi Pakkhesal and Rahim Ghayour
Affiliation:(1) Department of Materials Science and Engineering and Materials Research Laboratory, University of Illinois at Urbana, Champaign, IL 61801, USA;(2) Physical Sciences Research Laboratories, Motorola Labs, 7700 South River Parkway, Tempe, AZ 85284, USA;(3) Present address: Department of Electrical and Computer Engineering, Ohio State University, Columbus, OH 43210, USA;
Abstract:Analytical derivation of electronic band gap of Single Walled Carbon Nanotube (SWCNT) under a small percent of uniaxial and torsional strains is in this paper. Our approach is based on a kind of π-Tight Binding (π-TB) approximation which includes interactions of the second and the third neighbors of each carbon atom in addition to the nearest ones. Implementing the approach of this paper, yields more precise results than those of other researches.
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