Stability of polar oxide surfaces.

@article{Wander2001StabilityOP,
  title={Stability of polar oxide surfaces.},
  author={A. Wander and F. Schedin and P. Steadman and A. Norris and R. McGrath and T. Turner and G. Thornton and N. Harrison},
  journal={Physical review letters},
  year={2001},
  volume={86 17},
  pages={
          3811-4
        }
}
The structures of the polar surfaces of ZnO are studied using ab initio calculations and surface x-ray diffraction. The experimental and theoretical relaxations are in good agreement. The polar surfaces are shown to be very stable; the cleavage energy for the (0001)-Zn and (0001;)-O surfaces is 4.0 J/m(2) comparable to 2.32 J/m(2) for the most stable nonpolar (1010) surface. The surfaces are stabilized by an electronic mechanism involving the transfer of 0.17 electrons between them. This leads… Expand
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