Description: We studied the reconstructions of surfaces in NiO by atomistic simulations which utilize Buckingham short range potentials and the shell model. It was found that (hk0) surfaces prefer to reconstruct into (100) surface facets which has the lowest energy. The interaction between these (100) facets is repulsive and converges to zero as size of facets grows. The (111) surface can be stabilized by reconstruction into (100) micro-facets.
Date: July 1, 1995
Creator: Yan, M. & Chen, S.P.
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