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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.
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
ISSN: 09538984
DOI: 10.1088/0953-8984/6/45/006
Appears in Collections:Staff Publications

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