ATOMIC-STRUCTURE OF METALLIC CLUSTERS OF LARGE-SIZE

被引：13

作者：

WANG, Q ^{[1
]}

GLOSSMAN, MD ^{[1
]}

INIGUEZ, MP ^{[1
]}

ALONSO, JA ^{[1
]}

机构：

[1] UNIV E ANGLIA,SCH MATH & PHYS,NORWICH NR4 7TJ,NORFOLK,ENGLAND

来源：

PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES | 1994年 / 69卷 / 05期

关键词：

D O I：

10.1080/01418639408240173

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have studied the relative stabilities of large sodium clusters, with up to about 3000 atoms, for two different atomic arrangements: icosahedral and cuboctahedral. For this purpose we have used the density functional formalism, and the spherically averaged, pseudopotential approximation for the electron-ion background interaction. We have found that, in the size range studied here, the icosahedral structure is more stable than the cuboctahedral structure, and that allowing for a slight relaxation of the ideal structures is very significant for stabilizing the clusters.

引用

页码：1045 / 1050

页数：6

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