Optimum metallic-bond scheme: Theoretical study of geometric structures for ground-state sodium clusters
文献类型：期刊论文
| 作者 | Su, CR ; Li, JM |
| 刊名 | SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY
 |
| 出版日期 | 2002 |
| 卷号 | 45期号:7页码:906 |
| 关键词 | DENSITY-FUNCTIONAL THEORY POLY-ATOMIC SYSTEMS ELECTRONIC-STRUCTURE MOLECULAR-DYNAMICS NA CLUSTERS APPROXIMATION ENERGY SHELLS GAS |
| ISSN号 | 1006-9283 |
| 通讯作者 | Su, CR (reprint author), Tsing Hua Univ, Ctr Atom & Mol Nanosci, Dept Phys, Beijing 100084, Peoples R China. |
| 中文摘要 | We present an optimum metallic-bond scheme to study the geometric structures of sodium clusters Na-n(nless than or equal to15) systematically by combining the characteristics of metallic bonds and the first principle molecular dynamics simulation. The scheme provides an optimum way to examine almost all stable structures of sodium clusters and to determine their ground state structures. It is interesting to note that for the larger sodium clusters (13less than or equal tonless than or equal to15), there are some plane-like substructures on their surfaces, which resemble the fragments of the (110) plane with the highest atomic area density in the bulk bcc sodium crystal. We also propose a possible way to understand the formation of large icosahedral sodium clusters (1500 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/50410]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Su, CR,Li, JM. Optimum metallic-bond scheme: Theoretical study of geometric structures for ground-state sodium clusters[J]. SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY,2002,45(7):906. |
| APA | Su, CR,&Li, JM.(2002).Optimum metallic-bond scheme: Theoretical study of geometric structures for ground-state sodium clusters.SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY,45(7),906. |
| MLA | Su, CR,et al."Optimum metallic-bond scheme: Theoretical study of geometric structures for ground-state sodium clusters".SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY 45.7(2002):906. |
入库方式： OAI收割
来源：物理研究所
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