Open AccessMOLECULAR DYNAMICS SIMULATION FOR Si(00l) SURFACE
Author(s) -
Jia Zheng-Ming,
Yang Gen-qing,
ZhiLin Cheng,
Liu Xiang-Huai,
Shichang Zou
Publication year - 1994
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.43.609
Subject(s) - molecular dynamics , materials science , surface (topology) , relaxation (psychology) , lattice (music) , plane (geometry) , chemical physics , molecular physics , many body theory , condensed matter physics , physics , quantum mechanics , geometry , psychology , social psychology , mathematics , acoustics
Molecular dynamics simulations were performed to obtain the two-dimensional pair correlation functions of Si(001) surface and deeper layers. The atoms interact via a potential developed by Stillinger and Weber, which includes both two-body and three-body contributions. The results show that the atoms in deeper layers still remain at their(001) atomic plane lattice sites, while the atoms in surface layer are rearranged, and a large part of them form bonding and the bond length is 0.2, 40nm. The relaxation problems have also been discussed.