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Title: Growth mechanisms of ZnO(0001) investigated using the first-principles calculation

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.4748272· OSTI ID:22089459
;  [1]; ;  [2]
  1. Department of Applied Mathematics and Physics, Tottori University, Koyama, Tottori 680-8552 (Japan)
  2. Department of Electrical and Electronic Engineering, Tottori University, Koyama, Tottori 680-8552 (Japan)

We investigated the dynamics of zinc (Zn) and oxygen (O) adsorbed atoms (adatoms) on a Zn-polar ZnO(0001) surface using the first-principles calculation. The results of the first-principles calculation revealed that a high-quality ZnO crystalline growth condition is induced by wurtzite structure packing under a Zn-rich growth condition using a Zn-polar ZnO(0001) surface. However, it was shown that an O adatom is not sufficient to promote surface atomic diffusion. For high-quality ZnO crystal, promoting surface diffusion of adatoms using high temperature is important.

OSTI ID:
22089459
Journal Information:
Journal of Applied Physics, Vol. 112, Issue 6; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
Country of Publication:
United States
Language:
English

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