Reconstructions of diamond (100) and (111) surfaces: Accuracy of the Brenner potential

Details Reconstructions of diamond (100) and (111) surfaces: Accuracy of the Brenner potential Reconstructions of diamond (100) and (111) surfaces: Accuracy of the Brenner potential

2000-03-14

arxiv.org/abs/cond-mat/0003232v1

Physics

Condensed Matter

Materials Science

8 pages, 2 figures, conference paper to appear in Physica Status Solidi (a), we give a support of our recent predictions for d

Scientific paper

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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