• 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. 
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