星团(航天器)
周期表
化学物理
电子结构
表(数据库)
班级(哲学)
原子物理学
材料科学
密度泛函理论
壳体(结构)
物理
分子物理学
凝聚态物理
计算机科学
量子力学
数据挖掘
人工智能
复合材料
程序设计语言
作者
Shiv N. Khanna,P. Jena
出处
期刊:Physical Review B
[American Physical Society]
日期:1995-05-15
卷期号:51 (19): 13705-13716
被引量:434
标识
DOI:10.1103/physrevb.51.13705
摘要
Atomic clusters with suitable size and composition can be designed to mimic the chemistry of atoms in the Periodic Table. These clusters which can be viewed as ``super atoms'' could then form the building blocks for a class of solids with unique structural, electronic, optical, magnetic, and thermodynamic properties. Using density-functional calculations, we outline the design principles for these clusters and describe the role of geometry and electronic shell structure on cluster-cluster interaction.
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