METALLIZATION OF IONIC CLUSTERS

被引：105

作者：

RAJAGOPAL, G

BARNETT, RN

LANDMAN, U

机构：

[1] School of Physics, Georgia Institute of Technology, Atlanta

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.67.727

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The energetics and structure of multiple excess electrons in halogen-deficient Na(n)F(m) clusters are studied starting at the stochiometric ionic limit Na(n)F(n) and ending with pure metallic clusters Na(n) (for n = 4,3,2 and partially for n = 14). The results exhibit structural transitions upon metallization, odd-even oscillations in n-m and possibly shell-closing effects portrayed in formation and ionization energies, and excess-metal face segregation for the larger system.

引用

页码：727 / 730

页数：4