Structural and electronic properties of BeO nanotubes filled with Cu nanowires

Y.-N. Duan; J.-M. Zhang; K.-W. Xu; V. Ji

doi:10.1140/epjb/e2013-40442-3

2020 Impact factor 1.500

Condensed Matter and Complex Systems

Eur. Phys. J. B (2013) 86: 364
https://doi.org/10.1140/epjb/e2013-40442-3

Regular Article

Structural and electronic properties of BeO nanotubes filled with Cu nanowires

Y.-N. Duan¹^,2, J.-M. Zhang¹^a, K.-W. Xu³ and V. Ji⁴

¹ College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi, P.R. China
² Department of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830011, Xinjiang, P.R. China
³ College of Physics and Mechanical and Electronic Engineering, Xian University of Arts and Science, Xian 710065, Shaanxi, P.R. China
⁴ ICMMO/LEMHE, Université Paris-Sud 11, 91405 Orsay Cedex, France

^a e-mail: jianmzhang@yahoo.com

Received: 26 April 2013
Received in final form: 17 June 2013
Published online: 2 September 2013

Abstract

The structural and electronic properties of Cu_5-1 and Cu_6-1 nanowires with core-shell structures encapsulated inside a series zigzag (n,0) BeONTs denoted by Cu_5-1@(n,0) and Cu_6-1@(n,0) are investigated using the first-principles calculations within the generalized-gradient approximation. For Cu_5-1@(n,0) (10 ⩽ n ⩽ 17) and Cu_6-1@(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 5G₀ and 6G₀ of the most stable Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are identical to the corresponding free-standing Cu_5-1 and Cu_6-1 nanowires, respectively. The energy bands crossing the Fermi level in both the Cu_5-1@(12,0) and Cu_6-1@(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 Cu_5-1 and Cu_6-1 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 Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are top-priority in the ULSI circuits and MEMS devices that demand steady transport of electrons.