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Ceramics-Silikáty 44 (3) 98-103 (2000)

THEORETICAL MODELING OF (001) a-ALUMINA SURFACE

L. Turi Nagy, M. Liška, A. Michalková, M. Časný 

The structure of (001) surface of a a-alumina was modeled using empirical pair-wise 6-12 type potential. The surface energy, the quality of the top atomic plane, the statical relaxation of ten top atomic planes and the computational conditions needed for correct modeling of this type of surface were determined.

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