A detailed comparison was made of the structural predictions of the effective many-body Brenner potential, as compared with those of ab initio studies for known reconstructions of the diamond (100) and (111) surfaces. These results suggest high reliability of the Brenner potential for dealing with carbon-based structures where different types of bonding were present at the same time.

Reconstructions of Diamond (100) and (111) Surfaces - Accuracy of the Brenner Potential. A.V.Petukhov, A.Fasolino: Physica Status Solidi A, 2000, 181[1], 109-14