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Stability of ZnO Polar Surfaces

ab initio calculations have been performed to investigate the stability of the (0001) and (000-1) surfaces of ZnO. One possible stabilisation mechanism is the transfer of charge between the two surfaces leading to a metallisation of the Zn surface and holes in the 2p band on the oxygen surface.

This work appeared in A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T.S. Turner, G.Thornton, N. M. Harrison The Stability of Polar Oxide Surfaces Physical Review Letters 86 p.3811 (2001)

 
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