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https://doi.org/10.1088/0953-8984/6/45/006
Title: | Vacancies on the Si(001) c(4 × 2) surface | Authors: | Low, K.C. Lim, H.S. Ong, C.K. |
Issue Date: | 7-Nov-1994 | Citation: | Low, K.C., Lim, H.S., Ong, C.K. (1994-11-07). Vacancies on the Si(001) c(4 × 2) surface. Journal of Physics Condensed Matter 6 (45) : 9551-9560. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/6/45/006 | Abstract: | We have employed a parametrized tight-binding molecular-dynamics scheme in the study of the phenomenon of vacancies on the Si(001) c(4 × 2) surface. Simulated annealing is performed with a 'fictitious-Lagrangian' procedure to determine the optimal structures of a single and a dimer vacancy on this surface. A monovacancy is found to be less stable than a dimer vacancy, which agrees with experimental observations. We also show that there is a possible anisotropy in the surface migration of a dimer vacancy on the surface. The calculated activation energy for dimer-vacancy diffusion is 0.6 eV higher than that estimated experimentally at high temperatures. | Source Title: | Journal of Physics Condensed Matter | URI: | http://scholarbank.nus.edu.sg/handle/10635/98542 | ISSN: | 09538984 | DOI: | 10.1088/0953-8984/6/45/006 |
Appears in Collections: | Staff Publications |
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