AuN clusters (N=32,33,34,35):: Cagelike structures of pure metal atoms -: art. no. 205401

被引：167

作者：

Gu, X ^{[1
]}

Ji, M

Wei, SH

Gong, XG

机构：

[1] Fudan Univ, Surface Phys Lab, Shanghai 200433, Peoples R China

[2] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[3] Chinese Acad Sci, Inst Solid State Phys, Hefei 230031, Peoples R China

[4] Chinese Acad Sci, Interdisciplinary Ctr Theoret Studies, Beijing 100080, Peoples R China

来源：

PHYSICAL REVIEW B | 2004年 / 70卷 / 20期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1103/PhysRevB.70.205401

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Based on the density functional theory, we demonstrate that Au-N clusters can have cagelike structures. The cage consisting of 32 Au atoms has an icosahedral symmetry with a large energy gap of 1.56 eV, suggesting high stability and chemical inertness. The calculations show that the cagelike structure is stabilized by the relativistic effect.

引用

页码：205401 / 1

页数：5

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