Density-functional study of structural and electronic properties of NanLi and LinNa (1≤n≤12) clusters

被引：0
|
作者：
Deshpande, M.D. [1 ]
Kanhere, D.G. [1 ]
Vasiliev, Igor [1 ]
Martin, Richard M. [1 ]
机构：
[1] Department of Physics, University of Pune, Pune 411007, India
来源：
Physical Review A - Atomic, Molecular, and Optical Physics | 2002年 / 65卷 / 3 B期
关键词：
Atoms - Calculations - Correlation methods - Doping (additives) - Electronic properties - Geometry - Lithium - Molecular dynamics - Molecular structure - Phase equilibria - Probability density function - Sodium;
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摘要：
The equilibrium geometries and polarizabilities of NanLi and LinNa clusters were calculated. As such, the effect of impurity on polarizability was seen to be significant on small clusters only. It was found that the polarizabilities of LinNa clusters to be lower than that for Nan clusters, which could be explained by a stronger bonding in LinNa clusters as compared to NanLi.
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页码：1 / 033202
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