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|Title:||Vacancies on the Si(001) c(4 × 2) surface||Authors:||Low, K.C.
|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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