Lowest energy structures of gold nanoclusters

被引：354

作者：

Garzon, IL

Michaelian, K

Beltran, MR

Posada-Amarillas, A

Ordejon, P

Artacho, E

Sanchez-Portal, D

Soler, JM

机构：

[1] Univ Nacl Autonoma Mexico, Inst Fis, Mexico City 01000, DF, Mexico

[2] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico

[3] Univ Sonora, Ctr Invest Fis, Hermosillo 83000, Sonora, Mexico

[4] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain

[5] Univ Autonoma Madrid, Dept Fis Mat Condensada C III, E-28049 Madrid, Spain

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.81.1600

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The lowest energy structures of Au-n, (n = 38, 55. 75) nanoclusters are obtained by unconstrained dynamical and genetic-symbiotic optimization methods, using a Gupta II-body potential. A set of amorphous structures, nearly degenerate in energy, are found as the most stable configurations. Some crystalline or quasicrystalline isomers are also minima of the cluster potential energy surface with, similar energy. First principles calculations using density functional theory confirm these results and give different electronic properties for the ordered and disordered gold cluster isomers.

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页码：1600 / 1603

页数：4

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