Diffusion and interconversion of 'defect' ad-dimers on the Si(001) 2*1 surface: a molecular statics study
- 1 February 1993
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 5 (5) , 551-558
- https://doi.org/10.1088/0953-8984/5/5/006
Abstract
The authors use a modified form of the Stillinger-Weber potential to obtain the binding energy and geometry of a number of Si ad-dimer structures on the fully relaxed Si(001) 2*1 surface by canonical Monte Carlo simulation. At low temperatures they show the possible existence of two kinds of 'defect' ad-dimers which may hinder normal 1*2 growth. The mechanisms for both diffusion and interconversion of such dimers are then elucidated by examining their associated minimum-energy paths.Keywords
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