Quantitative evaluation of orbital hybridization in carbon nanotubes under radial deformation using π-orbital axis vector

Masato Ohnishi, Ken Suzuki, Hideo Miura

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

When a radial strain is applied to a carbon nanotube (CNT), the increase in local curvature induces orbital hybridization. The effect of the curvature-induced orbital hybridization on the electronic properties of CNTs, however, has not been evaluated quantitatively. In this study, the strength of orbital hybridization in CNTs under homogeneous radial strain was evaluated quantitatively. Our analyses revealed the detailed procedure of the change in electronic structure of CNTs. In addition, the dihedral angle, the angle between π-orbital axis vectors of adjacent atoms, was found to effectively predict the strength of local orbital hybridization in deformed CNTs.

Original languageEnglish
Article number047124
JournalAIP Advances
Volume5
Issue number4
DOIs
Publication statusPublished - 2015 Apr 1

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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