Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms
Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms
复制标题
通过在 (100) 表面上沉积 Cu、Ag、Au、Pt 和 Ni 纳米团簇进行接触外延：尺寸限制和机制
DOI：
10.1103/physrevb.75.115422
复制
发表时间：
2007
期刊：
影响因子：
--
通讯作者：
K. Albe
中科院分区：
文献类型：
--
作者：
T. Järvi;A. Kuronen;K. Meinander;K. Nordlund;K. Albe
通过分子动力学模拟，研究了铜、镍、铂、银和金在（100）表面上单个金属团簇（6—2000个原子）的低能沉积。对于从$0\phantom{\rule{0.3em}{0ex}}\text{到$0\phantom{\rule{0.3em}{0ex}} 750\phantom{\rule{0.3em}{0ex}}\mathrm{K}$的不同温度，我们确定了在沉积时实现完全接触外延的簇的最大尺寸。结果表明，外延取向有两种机制。对于最小的团簇尺寸，在界面上释放的吸附热将立即（ps时间尺度）允许团簇熔化并通过再固化成为外延。这一效应对所研究的所有元素给出了大致相同的限制。在更长（ns）的时间尺度上，团簇可以通过孪晶位错的热激活运动外延排列。这种机制导致了比再凝固过程更高的外延极限。此外，所得到的极限在不同元素之间差别很大。
Low-energy deposition of individual metal clusters (6--2000 atoms) on a (100) surface is studied for copper, nickel, platinum, silver, and gold by means of molecular-dynamics simulations. For different temperatures ranging from $0\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}750\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ we determine the maximum size of clusters that will achieve complete contact epitaxy upon deposition. The results show that two mechanisms contribute to epitaxial alignment. For the smallest cluster sizes, the heat of adsorption released at the interface will immediately (ps time scales) allow the cluster to melt and become epitaxial by resolidification. This effect gives roughly the same limit for all elements studied. On longer (ns) time scales, the clusters can align epitaxially by thermally actived motion of twinning dislocations. This mechanism leads to much higher limits of epitaxy than the resolidification process. Moreover, the resulting limits differ significantly between the elements.