Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending

Details Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure alculations; surface reconstruction, step and bending

2004-09-07

arxiv.org/abs/cond-mat/0409142v3

Phys. Rev. B 72, 075323 (2005)

Physics

Condensed Matter

Materials Science

11 pages, 10 figures. A (heavier) PDF file with a better graphics is available at http://fujimac.t.u-tokyo.ac.jp/hoshi/

Scientific paper

10.1103/PhysRevB.72.075323

The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps shows surface reconstruction and step formation. These processes are studied by analyzing electronic freedom and compared with STM experiments. The discussion presents the stability mechanism of the experimentally observed mode, the $(111)$-$(2 x 1)$ mode, beyond the traditional approach with surface energy. Moreover, in several results, the cleavage path is bent into the experimentally observed planes, owing to the relative stability among different cleavage modes. Finally, several common aspects between cleavage and other phenomena are discussed from the viewpoints of the nonequilibrium process and the 10-nm-scale structure.

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