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Long-range structures on the dihydride Si(001) surface |
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| Authors: | K. Tagami and M. Tsukada |
| Affiliation: | Department of Physics, Graduate School of Science, University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113, Japan |
| Abstract: | From several large supercell MD simulations with an empirical tight-binding method, we have found the long-range structure on the dihydride Si(001) surface. This structure can be viewed as the well-known canted phase with domain walls. The formation energy of a single domain wall on the surface is estimated to be 1.3–1.5 eV. |
| Keywords: | Silanes Surface structure Crystal orientation Molecular dynamics Mathematical models Computational methods Tight binding method |
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