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Structural and electronic properties of BeO nanotubes filled with Cu nanowires

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Abstract

The structural and electronic properties of Cu5-1 and Cu6-1 nanowires with core-shell structures encapsulated inside a series zigzag (n,0) BeONTs denoted by Cu5-1@(n,0) and Cu6-1@(n,0) are investigated using the first-principles calculations within the generalized-gradient approximation. For Cu5-1@(n,0) (10 ⩽ n ⩽ 17) and Cu6-1@(n,0) (11 ⩽ n ⩽ 18) combined systems, the initial shapes (cylindrical BeONTs and CuNWs) are preserved without any visible change after optimization. The quantum conductances 5G 0 and 6G 0 of the most stable Cu5-1@(12,0) and Cu6-1@(13,0) combined systems are identical to the corresponding free-standing Cu5-1 and Cu6-1 nanowires, respectively. The energy bands crossing the Fermi level in both the Cu5-1@(12,0) and Cu6-1@(13,0) combined systems are all originated from the inner CuNWs. Therefore the electron transport will occur only through the inner CuNWs and the outer inert BeONTs serves well as an insulating cable sheath. The robust quantum conductance of the Cu5-1 and Cu6-1 nanowires, the insulating protection character of the (12,0) and (13,0) BeONTs and the highest stability of the tube-wire combined systems make the Cu5-1@(12,0) and Cu6-1@(13,0) combined systems are top-priority in the ULSI circuits and MEMS devices that demand steady transport of electrons.

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Authors and Affiliations

  1. College of Physics and Information Technology, Shaanxi Normal University, Xian, 710062, Shaanxi, P.R. China

    Y.-N. Duan & J.-M. Zhang

  2. Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi, 830011, Xinjiang, P.R. China

    Y.-N. Duan

  3. College of Physics and Mechanical and Electronic Engineering, Xian University of Arts and Science, Xian, 710065, Shaanxi, P.R. China

    K.-W. Xu

  4. ICMMO/LEMHE, Université Paris-Sud 11, 91405, Orsay Cedex, France

    V. Ji

Authors
  1. Y.-N. Duan
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  2. J.-M. Zhang
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  3. K.-W. Xu
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  4. V. Ji
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Correspondence to J.-M. Zhang.

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Duan, YN., Zhang, JM., Xu, KW. et al. Structural and electronic properties of BeO nanotubes filled with Cu nanowires. Eur. Phys. J. B 86, 364 (2013). https://doi.org/10.1140/epjb/e2013-40442-3

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