Shapes and free energies of molten sodium clusters

被引：4
|
作者：
Frauendorf, S [1 ]
Pashkevich, VV [1 ]
机构：
[1] JOINT INST NUCL RES,THEORET PHYS LAB,DUBNA 141980,RUSSIA
来源：
SURFACE REVIEW AND LETTERS | 1996年 / 3卷 / 01期
关键词：
D O I：
10.1142/S0218625X96000474
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The shell-correction method is formulated to calculate the shapes and free energies of hot alkali clusters. The equilibrium shapes of Na clusters with mass 50-700 are calculated by minimizing simultaneously with respect to two deformation parameters. For T = 700 degrees K strong deviations from spheroidal shape including reflection asymmetric shapes are found to survive in the center of the open shells. The second derivative of calculated free energy correlates with the derivative of the experimental cluster abundances, showing prominent spikes related to the change between spherical and deformed shape.
引用
收藏
页码：241 / 245
页数：5
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