• Corpus ID: 847365

Electronic Structure of ZnO nanowire

@article{Shen2006ElectronicSO,
  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},
  year={2006}
}
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. 
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References

SHOWING 1-10 OF 15 REFERENCES
Numerical data and functional relationships in science and technology
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
...
...