Melting of sodium clusters in the extended Thomas-Fermi approximation

被引：11

作者：

Blaise, P ^{[1
]}

Blundell, SA ^{[1
]}

机构：

[1] CEA Grenoble, Dept Rech Fondamentale Mat Condensee, F-38054 Grenoble 9, France

来源：

PHYSICAL REVIEW B | 2001年 / 63卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.63.235409

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We study the melting of small sodium clusters Na-N (N = 8,20,40) and Na-N(+) (N = 53 - 57,93,139,147) using an ab initio treatment of valence electrons within the extended Thomas-Fermi approximation. The ionic entropy and specific heats are extracted using a multiple-histogram analysis. The smaller clusters show multiprocess melting, while the larger clusters favor predominantly single-process melting. We find a pronounced maximum in the melting point around N = 55.

引用

页数：5

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