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Russian Journal of Inorganic Chemistry

, Volume 62, Issue 6, pp 783–789 | Cite as

Electronic properties of achiral and chiral gold nanotubes

  • L. O. Khoroshavin
  • D. O. Krasnov
  • P. N. D’yackov
  • E. M. Kol’tsova
Theoretical Inorganic Chemistry
  • 24 Downloads

Abstract

The band structure of ten single-walled gold nanotubes of different radius and chirality angle have been calculated by the linearized augmented cylindrical wave method. For all tubes, the Fermi level crosses the half-filled band; therefore, the tubes are characterized by a metallic electronic structure. The band structure of the nanotubes changes relatively weakly with a change in nanotube structure. The valence band width for all the tubes is 9.1 eV. The density of states at the Fermi level remains unaltered with a change in chirality angle and decreases by 30% with an increase in radius from 3 to 12 Å.

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Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • L. O. Khoroshavin
    • 1
  • D. O. Krasnov
    • 1
    • 2
  • P. N. D’yackov
    • 2
  • E. M. Kol’tsova
    • 1
  1. 1.Mendeleev University of Chemical Technology of RussiaMoscowRussia
  2. 2.Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia

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