Molecular dynamics simulations of various metastable structures on Si(001) at different temperatures

被引：4
|
作者：
Wang, CQ
Jia, Y [1 ]
Ma, BX
Wang, SY
Qin, Z
Wang, F
Wu, LK
Li, XJ
机构：
[1] Zhengzhou Univ, Sch Phys & Engn, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China
[2] Fudan Univ, Dept Opt Sci & Engn, State Key Lab Adv Photon Mat & Devices, Shanghai 200433, Peoples R China
来源：
ACTA PHYSICA SINICA | 2005年 / 54卷 / 09期
关键词：
molecular dynamics simulation; surface structure; Si(001) Stillinger-Weber potential;
D O I：
10.7498/aps.54.4313
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
By,using Stillinger- Weber potential, we have carried out the constant temperature molecular dynamics simulations of surface structures on Si(001) at different temperatures. Our results show that the dimers rearranged into p(2 x I) cell are the primary structure on Si(001) surface. Besides this, trimers and c(2 x 2) metastable structures as well as two- dangling- bond single atoms are observed on the surface at different temperatures. Up to the surface melting temperature, these, metastable structures disappear and the simple p(2 x 1) structure remains on the surface.
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页码：4313 / 4318
页数：6
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