Science China Physics, Mechanics and Astronomy

, Volume 57, Issue 4, pp 644–651

Structural and electronic properties of chiral single-wall copper nanotubes

Authors

  • YingNi Duan
    • College of Physics and Information TechnologyShaanxi Normal University
    • Department of Medical Engineering and TechnologyXinjiang Medical University
    • College of Physics and Information TechnologyShaanxi Normal University
  • KeWei Xu
    • College of Physics and Mechanical and Electronic EngineeringXi’an University of Arts and Science
Article

DOI: 10.1007/s11433-013-5387-8

Cite this article as:
Duan, Y., Zhang, J. & Xu, K. Sci. China Phys. Mech. Astron. (2014) 57: 644. doi:10.1007/s11433-013-5387-8

Abstract

The structural, energetic and electronic properties of chiral (n, m) (3⩽n⩽6, n/2⩽mn) single-wall copper nanotubes (CuNTs) have been investigated by using projector-augmented wave method based on density-functional theory. The (4, 3) CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions, whereas the (5, 5) and (6, 4) CuNTs should be observed in free-standing and tip-suspended conditions, respectively. The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube. Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk. Current transporting states display different periods and chirality, the combined effects of which lead to weaker chiral currents on CuNTs.

Keywords

density-functional theory Cu nanotube structural property electronic property

Copyright information

© Science China Press and Springer-Verlag Berlin Heidelberg 2014