Band Structure and Contact Resistance of Carbon Nanotubes Deformed by a Metal Contact

Roohollah Hafizi, Jerry Tersoff, and Vasili Perebeinos
Phys. Rev. Lett. 119, 207701 – Published 16 November 2017

Abstract

Capillary and van der Waals forces cause nanotubes to deform or even collapse under metal contacts. Using ab initio band structure calculations, we find that these deformations reduce the band gap by as much as 30%, while fully collapsed nanotubes become metallic. Moreover, degeneracy lifting due to the broken axial symmetry, and wave functions mismatch between the fully collapsed and the round portions of a CNT, lead to a 3 times higher contact resistance. The latter we demonstrate by contact resistance calculations within the tight-binding approach.

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  • Received 10 March 2017

DOI:https://doi.org/10.1103/PhysRevLett.119.207701

© 2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Roohollah Hafizi1,2, Jerry Tersoff3, and Vasili Perebeinos1,*

  • 1Skolkovo Institute of Science and Technology, 3 Nobel Street, Skolkovo, Moscow Region 143025, Russia
  • 2Department of Physics, Isfahan University of Technology, Isfahan 84156-83111, Iran
  • 3IBM T.J. Watson Research Center, Yorktown Heights, New York 10598, USA

  • *v.perebeinos@skoltech.ru

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Issue

Vol. 119, Iss. 20 — 17 November 2017

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