The soft deposition of Cu clusters on a Si （001） surface was studied by molecular dynamics simulations. The embedded atom method, the Stillinger-Weber and the Lennar-Jones potentials were used to describe the intera...The soft deposition of Cu clusters on a Si （001） surface was studied by molecular dynamics simulations. The embedded atom method, the Stillinger-Weber and the Lennar-Jones potentials were used to describe the interactions between the cluster atoms, between the substrate atoms, and between the cluster and the substrate atoms, respectively. The Cu13, Cu55, and Cu147 clusters were investigated at different substrate temperatures. We found that the substrate temperature had a significant effect on the Cn147 cluster. For smaller Cu13 and Cu55 clusters, the substrate temperature in the range of study appeared to have little effect on the mean center-of-mass height. The clusters showed better degrees of epitaxy at 800 K. With the same substrate temperature, the Cu55 cluster demonstrated the highest degree of epitaxy, followed by Cu147 and then Cu13 clusters. In addition, the Cu55 cluster showed the lowest mean center-of-mass height. These results suggested that the Cu55 cluster is a better choice for the thin-film formation among the clusters considered. Our studies may provide insight into the formation of desired Cu thin films on a Si substrate.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No. 10375028)the US National Science Foundation Award (Grant No. CMMI-0700048)
文摘The soft deposition of Cu clusters on a Si （001） surface was studied by molecular dynamics simulations. The embedded atom method, the Stillinger-Weber and the Lennar-Jones potentials were used to describe the interactions between the cluster atoms, between the substrate atoms, and between the cluster and the substrate atoms, respectively. The Cu13, Cu55, and Cu147 clusters were investigated at different substrate temperatures. We found that the substrate temperature had a significant effect on the Cn147 cluster. For smaller Cu13 and Cu55 clusters, the substrate temperature in the range of study appeared to have little effect on the mean center-of-mass height. The clusters showed better degrees of epitaxy at 800 K. With the same substrate temperature, the Cu55 cluster demonstrated the highest degree of epitaxy, followed by Cu147 and then Cu13 clusters. In addition, the Cu55 cluster showed the lowest mean center-of-mass height. These results suggested that the Cu55 cluster is a better choice for the thin-film formation among the clusters considered. Our studies may provide insight into the formation of desired Cu thin films on a Si substrate.
