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Electro-mechanical Properties of Carbon Nanotubes (1998)

Anantram, M. P. ; Yang, Liu ; Saubum Subhash ; [et al.]

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Publication Date: 2019-07-18

Description: We present a simple picture to understand the bandgap variation of carbon nanotubes with small tensile and torsional strains, independent of chirality. Using this picture, we are able to predict a simple dependence of d(Bandoap)$/$d(strain) on the value of $(N_x-N_y)*mod 3$, for semiconducting tubes. We also predict a novel change in sign of d(Bandgap)$/$d(strain) as a function of tensile strain arising from a change in the value of $q$ corresponding to the minimum bandgap. These calculations are complemented by calculations of the change in bandgap using energy minimized structures, and some important differences are discussed. The calculations are based on the $i$ electron approximation.

Keywords: Solid-State Physics

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