Diffusion and interconversion of 'defect' ad-dimers on the Si(001) 2*1 surface: a molecular statics study
C P Toh; C K Ong; C P Toh; Dept. of Phys., National Univ. of Singapore, Singapore; C K Ong; Dept. of Phys., National Univ. of Singapore, Singapore
Журнал:
Journal of Physics: Condensed Matter
Дата:
1993-02-01
Аннотация:
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.
373.8Кб