A new Si tetramer structure on Si (001)

作者：Wang Changqing; Zhang Yongsheng; Jia Yu^*

来源：Solid State Sciences, 2009, 11(9): 1661-1665.

DOI：10.1016/j.solidstatesciences.2009.06.012

• Stillinger-Weber potential
• Molecular dynamics
• Dimer
• Si (001)
• Diffusion
• Tetramer

Interactions between Si ad-dimers on Si (001) have been studied by molecular dynamics simulations using the Stillinger-Weber potential. The interactions determine the formation of clusters from diffusing dimers. We show different pathways for the formation of multiple-dimer clusters and propose a new tetramer (T(CC)) structure formation by two diffusing dinners interacting. This tetramer structure has been found to be energetically stable with respect to isolated ad-dimers. Moreover, their local bonding configuration is very similar to the B-type step edge which is known to be the favoured adsorption site for epitaxial growth. The proposed tetramer may play a crucial role as the nucleus of the new epitaxial layer on Si (001).

• 出版日期2009-9
• 单位洛阳理工学院; 郑州大学