用Voter-Chen型嵌入原子势描述Al_N，Au_N和Pt_N（N=2-80）团簇的全局极小
Global minima of Al_N, Au_N and Pt_N, N=2-80, clusters described by Voter-Chen version of embedded-atom potentials
摘要：
使用盆跳跃蒙特卡罗最小化方法，我们报告的全球最小值铝，金和铂金属簇模型的选民陈版本的嵌入原子模型潜在的包含多达80个原子。Voter-Chen势的优点在于它是通过同时拟合双原子分子和块体金属的实验数据而得到的。因此，它可能更适合于大范围的集群大小。这一点很重要，因为小集群的几乎所有属性都依赖于大小。结果表明，Al、Au和Pt团簇的全局极小点具有八面体、十面体、二十面体或十面体和二十面体混合堆积的结构。对于所有的元素，没有中心原子的54原子二十面体比55原子完整的二十面体更稳定。大多数的Al全局极小被确定为一些fcc结构，并且发现许多Au全局极小是一些低对称结构，这两者都与先前的实验研究一致。
英文摘要：
Using the basin-hopping Monte Carlo minimization approach we report the global minima for aluminium, gold and platinum metal clusters modelled by the Voter-Chen version of the embedded-atom model potential containing up to 80 atoms. The virtue of the Voter-Chen potentials is that they are derived by fitting to experimental data of both diatomic molecules and bulk metals simultaneously. Therefore, it may be more appropriate for a wide range of the size of the clusters. This is important since almost all properties of the small clusters are size dependent. The results show that the global minima of the Al, Au and Pt clusters have structures based on either octahedral, decahedral, icosahedral or a mixture of decahedral and icosahedral packing. The 54-atom icosahedron without a central atom is found to be more stable than the 55-atom complete icosahedron for all of the elements considered in this work. The most of the Al global minima are identified as some fcc structures and many of the Au global minima are found to be some low symmetric structures, which are both in agreement with the previous experimental studies.
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