4.6 Article

Appearance of bulk-like motifs in Si, Ge, and Al clusters

期刊

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 12, 期 30, 页码 8551-8556

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/c004059b

关键词

-

资金

  1. US Department of Energy [DE-AC02-07CH11358]
  2. Office of Basic Energy Sciences
  3. National Natural Science Foundation of China [20773047]
  4. National Energy Research Supercomputing Center (NERSC)

向作者/读者索取更多资源

Using a genetic algorithm method to search for low-energy structures, we studied the evolution of structural motifs in Si, Ge, and Al clusters. We were able to observe how bulk-like structural motifs occur in these clusters as the size of the system increases, replacing structural motifs characteristic of clusters at smaller sizes. Si and Ge clusters adopt prolate structures at small sizes. While Si clusters switch to a spherical motif around the size of 30 atoms, Ge clusters exhibit plate-like motifs at the size of 40-atom clusters before transforming into more spherical shapes. For Al clusters, an ordered layered structural motif begins to appear at a relatively small cluster size around 25-27 atoms.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据