• Corpus ID: 847365

Electronic Structure of ZnO nanowire

  title={Electronic Structure of ZnO nanowire},
  author={Xiao Shen and Mark R. Pederson and Jinying Zheng and James W. Davenport and James T. Muckerman and Philip B. Allen},
  journal={arXiv: Materials Science},
This paper presents two first-principles calculations on the lattice- and electronic- structures of a small-diameter infinite and truncated ZnO nanowire. The two calculations show excellent agreement with each other. For the small diameter nanowire, the lattice and electronic properties are determined by the relaxed surface. We find a similarity between the nanowire surface and the surface of the bulk material, and discuss the assignment of the rotational quantum number m to the bands. 
3 Citations

Figures and Tables from this paper

Structural and electronic properties of bare and organosilane-functionalized ZnO nanopaticles
A systematic study of trends in band gap and lattice energies for bare zinc oxide nanoparticles were performed by means of quantum chemical density functional theory (DFT) calculations and density ...
Zinc Oxide Semiconducting Nanocrystals: Scaffolds for Intrinsic and Extrinsic Defects
As a material whose applications are many and growing, zinc oxide still remains a complex system whose photoluminescent (PL), structural, electrical, and photocatalytic properties have not been
The Brookhaven Computational Science Center brings together researchers in biology, chemistry, physics, and medicine with applied mathematicians and computer scientists to exploit the remarkable


Phys. Rev. Lett. Phys. Rev. B Porezag and M.R. Pederson Phys. Rev A
  • Phys. Rev. Lett. Phys. Rev. B Porezag and M.R. Pederson Phys. Rev A
  • 1983
J. Nanosci. Nanotech
  • J. Nanosci. Nanotech
  • 2005
Appl. Surf. Sci
  • Appl. Surf. Sci
  • 2004
Phys. Rev. B
  • Phys. Rev. B
  • 2000
Phys. Rev. B Phys. Rev. B Surf. Sci
  • Phys. Rev. B Phys. Rev. B Surf. Sci
  • 1994
Phys. Rev. Lett
  • Phys. Rev. Lett
  • 2006
Phys. Rev. B
  • Phys. Rev. B
  • 1998
Plane-Wave Self-Consistent Field
  • Am. Chem. Soc. J. Phys.: Condens. Matter Phys. Rev. B
  • 1990
Phys. Rev. B
  • Phys. Rev. B
  • 2006