Reconstructions of diamond (100) and (111) surfaces: Accuracy of the Brenner potential
A. V. Petukhov, A. Fasolino
Abstract
We present a detailed comparison of the structural predictions of the effective many-body Brenner potential with those of ab-initio studies for known reconstructions of 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 are present at the same time.
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