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Diffusion Dynamics of Cux Cluster on Cu(111) Surface
?Jian-feng Tang*,?Mai-chang Xu ,Xue-song Li ,Wo-yun Long
Author NameAffiliationE-mail
?Jian-feng Tang* Department of Applied Physics, Hunan Agricultural University, Changsha 410128, China wulijianfengtang@yahoo.com.cn 
?Mai-chang Xu Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104, China  
Xue-song Li Department of Applied Physics, Hunan Agricultural University, Changsha 410128, China  
Wo-yun Long Department of Applied Physics, Hunan Agricultural University, Changsha 410128, China  
Abstract:
The diffusion dynamics of small two-dimensional atomic clusters Cux (1·x·8) on Cu(111) surface were studied using the molecular dynamics simulations and a modified analytic embedded-atom method in the temperature range from 200 K to 800 K. The cluster size and temperature dependence of the diffusion coefficients and migration energies are presented. Our simulations show that the diffusion migration energy of the Cu7 cluster is the highest and the prefactor for the Cu7 cluster is almost three orders of magnitude larger than that for single atom diffusion. This conclusion is consistent with the experimental results for similar metals. In addition, the dependence of cluster diffusion on film growth is also discussed.
Key words:  Cluster, Molecular dynamics, Surface diffusion
FundProject:省自然科学基金
Diffusion Dynamics of Cux Cluster on Cu(111) Surface
汤剑锋*,许迈昌,李雪松,龙卧云
摘要:
利用分子动力学与修正分析型嵌入原子模型研究了从200K至800 K范围内,Cux (1·x·8)小团簇在(111)面的自扩散动力学行为,计算了Cu小团簇的扩散系数与激活能. 计算结果表明,密排的Cu7团簇的激活能最高,其扩散前因子比单个吸附原子的高3个数量级,这与其他类似金属的实验结果一致. 另外,还定量讨论了薄膜生长与团簇扩散的关系.
关键词:  团簇,分子动力学,表面扩散
DOI:10.1088/1674-0068/21/01/27-31
分类号: