Abstract
The structural, energetic and electronic properties of chiral (n, m) (3⩽n⩽6, n/2⩽m⩽n) 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.
Similar content being viewed by others
References
Murphy C J, Sau T K, Gole A M, et al. Anisotropic metal nanoparticles: Synthesis, assembly, and optical applications. J Phys Chem B, 2005, 109: 13857–13870
Oshima Y, Onga A. Helical gold nanotube synthesized at 150 K. Phys Rev Lett, 2003, 91: 205503
Kharche N, Manjari S R, Zhou Y, et al. A comparative study of quantum transport properties of silver and copper nanowires using first principles calculations. J Phys-Condens Matter, 2011, 23: 085501
Kumar A, Kumar A, Ahluwalia P K. Ab initio study of structural, electronic and dielectric properties of free standing ultrathin nanowires of noble metals. Physica E, 2012, 46: 259–269
Bowler D R. Atomic-scale nanowires: Physical and electronic structure. J Phys-Condens Matter, 2004, 16: R721–R754
Wang B, Shi D, Jia J, et al. Elastic and plastic deformations of nickel nanowires under uniaxial compression. Physica E, 2005, 30: 45–50
Kondo Y, Takayanagi K. Synthesis and characterization of helical multi-shell gold nanowires. Science, 2000, 289: 606–608
Oshima Y, Knodo Y, Takayanagi K. High-resolution ultrahigh-vacuum electron microscopy of helical gold nanowires: Junction and thinning process. J Electron Microsc, 2003, 52: 49–55
Tosatti E, Prestipino S, Kostlmeier S, et al. String tension and stability of magic tip-suspended nanowires. Science, 2001, 291: 288–290
Wei G, Nan C, Yu D. Large-scale self-assembled Ag nanotubes. Tsinghua Sci Technol, 2005, 10: 736–740
Oshima Y, Koizumi H, Mouri K, et al. Evidence of a single-wall platinum nanotube. Phys Rev B, 2002, 65: 121401(R)
Cao H, Wang L, Qiu Y, et al. Generation and growth mechanism of metal (Fe, Co, Ni) nanotube arrays. Chem Phys Chem, 2006, 7: 1500–1504
Xue S, Cao C, Zhu H. Electrochemically and template-synthesized nickel nanorod arrays and nanotubes. J Mater Sci, 2006, 41: 5598–5601
Li N, Li X, Yin X, et al. Electroless deposition of open-end Cu nanotube arrays. Solid State Commun, 2004, 132: 841–844
Kamalakar M V, Raychaudhuri A K. A novel method of synthesis of dense arrays of aligned single crystalline copper nanotubes using electrodeposition in the presence of a rotating electric field. Adv Mater, 2008, 20: 149–154
Meng F, Jin S. The solution growth of copper nanowires and nanotubes is driven by screw dislocations. Nano Lett, 2012, 12: 234–239
Chowdhury T, Casey D P, Rohan J F. Additive influence on Cu nanotube electrodeposition in anodised aluminium oxide templates. Electrochem Commun, 2009, 11: 1203–1206
Senger R T, Dag S, Ciraci S. Chiral single-wall gold nanotubes. Phys Rev Lett, 2004, 93: 196807
Elizondo S L, Mintmire J W. Ab initio study of helical silver single-wall nanotubes and nanowires. Phys Rev B, 2006, 73: 045431
Konar S, Gupta B C. Density functional study of single-wall and double-wall platinum nanotubes. Phys Rev B, 2008, 78: 235414
Manrique D Z, Cserti J, Lambert C J. Chiral currents in gold nanotubes. Phys Rev B, 2010, 81: 073103
Cai Y, Zhou M, Zeng M, et al. Adsorbate and defect effects on electronic and transport properties of gold nanotubes. Nanotechnol, 2011, 22: 215702
Kresse G, Hafner J. Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. Phys Rev B, 1994, 49: 14251–14269
Kresse G, Furthmüller J. Ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci, 1996, 6: 15–50
Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B, 1996, 54: 11169–11186
Kresse G, Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B, 1999, 59: 1758–1775
Perdew J P, Burke S, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett, 1996, 77: 3865–3868
Monkhorst H J, Pack J D. Special points for Brillouin-zone integrations. Phys Rev B, 1976, 13: 5188–5192
Kittel C. Introduction to Solid State Physics. 8th ed. New York: Wiley, 2005. 20–21
Soon A, Todorova M, Delley B, et al. Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation. Phys Rev B, 2006, 73: 165424
Landauer R. Spatial variation of currents and fields due to localized scatterers in metallic conduction. IBM J Res Dev, 1988, 32: 306–316
Sanvito S. Ab-initio Methods for Spin-Transport at the Nanoscale Level. 2nd ed. California: American Scientific Publishers, 2005. 28
Wang B L, Zhao J J, Chen X S, et al. Structures and quantum conductances of atomic-sized copper nanowires. Nanotechnol, 2006, 17: 3178–3182
He C, Qi L, Zhang W X, et al. Effect of electric and stress field on structures and quantum conduction of Cu nanowires. Appl Phys Lett, 2011, 99: 073105
Ma L C, Zhang J M, Xu K W. Structural and electronic properties of copper nanowire encapsulated into BeO nanotube: First-principles study. Physica B, 2012, 407: 784–789
Ma L C, Zhang J M, Xu K W. Structural and electronic properties of ultrathin copper nanowires: A density-functional theory study. Physica B, 2013, 410: 105–111
Miyamoto Y, Rubio A, Louie S G, et al. Self-inductance of chiral conducting nanotubes. Phys Rev B, 1999, 60: 13885
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Duan, Y., Zhang, J. & Xu, K. Structural and electronic properties of chiral single-wall copper nanotubes. Sci. China Phys. Mech. Astron. 57, 644–651 (2014). https://doi.org/10.1007/s11433-013-5387-8
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11433-013-5387-8