|
|||||
|
|
New tetramer structures in the initial process of Si homoepitaxial growth on Si (0 0 1) |
|
| Authors: | Changqing Wang Yongsheng Zhang |
| Affiliation: | a Department of Civil Engineering, Luoyang Institute of Science and Technology, Luoyang 471023, China b Department of Mathematics and Physics, Luoyang Institute of Science and Technology, Luoyang, 471023, China c School of Physics and Engineering, Key Laboratory of Material Physics of Ministry of Education, Zhengzhou University, Zhengzhou, 450052, China |
| Abstract: | We have studied the interaction between Si ad-dimers in the initial process of Si homoepitaxial growth on Si (0 0 1) surface by molecular dynamics simulations using the Stillinger-Weber potential. The interactions determine the formation of larger clusters from diffusing dimers. We show different pathways for the formation of multiple-dimer clusters and propose two new tetramer structures (TBB and TCC) formation by two diffusing dimers interacting. These tetramer structures have 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 favored adsorption site for epitaxial growth. The proposed tetramers may play a crucial role as the nucleus of the new epitaxial layer on Si (0 0 1). |
| Keywords: | Stillinger-Weber potential Molecular dynamics Dimer Si (0 0 1) Diffusion Tetramer |
| 本文献已被 ScienceDirect 等数据库收录！ | |