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Electronic structure of a gold nanotube

  • Theoretical Inorganic Chemistry
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Abstract

The electronic structure of a gold nanotube has been studied by quantum-chemical methods. The energy dependences of total and partial densities of states of a nanotube with 16 atoms in a translational unit cell have been calculated by the linearized augmented-cylindrical-wave method. It has been demonstrated that the nanotube has a metal-like band structure. The s(Au) states are located completely in the valence band and are not involved in electron transport. The Fermi level is located at the peak of the total and partial d(Au) densities of states, which should contribute to the high electron tunneling conductance of the system. The valence band width is 11 eV.

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Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    P. N. D’yachkov

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  1. P. N. D’yachkov
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Correspondence to P. N. D’yachkov.

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Original Russian Text © P.N. D’yachkov, 2015, published in Zhurnal Neorganicheskoi Khimii, 2015, Vol. 60, No. 8, pp. 1045–1047.

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D’yachkov, P.N. Electronic structure of a gold nanotube. Russ. J. Inorg. Chem. 60, 947–949 (2015). https://doi.org/10.1134/S0036023615080070

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  • DOI: https://doi.org/10.1134/S0036023615080070

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