Article

Science China Physics, Mechanics and Astronomy

, Volume 57, Issue 4, pp 644-651

Structural and electronic properties of chiral single-wall copper nanotubes

  • YingNi DuanAffiliated withCollege of Physics and Information Technology, Shaanxi Normal UniversityDepartment of Medical Engineering and Technology, Xinjiang Medical University
  • , JianMin ZhangAffiliated withCollege of Physics and Information Technology, Shaanxi Normal University Email author 
  • , KeWei XuAffiliated withCollege of Physics and Mechanical and Electronic Engineering, Xi’an University of Arts and Science

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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