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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Original Russian Text © L.O. Khoroshavin, D.O. Krasnov, P.N. D’yackov, E.M. Kol’tsova, 2017, published in Zhurnal Neorganicheskoi Khimii, 2017, Vol. 62, No. 6, pp. 800–806.
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Khoroshavin, L.O., Krasnov, D.O., D’yackov, P.N. et al. Electronic properties of achiral and chiral gold nanotubes. Russ. J. Inorg. Chem. 62, 783–789 (2017). https://doi.org/10.1134/S0036023617060110
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DOI: https://doi.org/10.1134/S0036023617060110