IS THERE A CONTRACTION OF THE INTERATOMIC DISTANCE IN SMALL METAL PARTICLES

被引：85

作者：

HANSEN, LB ^{[1
]}

STOLTZE, P ^{[1
]}

NORSKOV, JK ^{[1
]}

CLAUSEN, BS ^{[1
]}

NIEMANN, W ^{[1
]}

机构：

[1] HALDOR TOPSOE RES LABS,DK-2800 LYNGBY,DENMARK

来源：

PHYSICAL REVIEW LETTERS | 1990年 / 64卷 / 26期

关键词：

D O I：

10.1103/PhysRevLett.64.3155

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A theoretical analysis is made of the bond lengths of small (100 1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very small changes in bond length with particle size, but the motion in the small particles is very anharmonic. We use this observation to resolve the current experimental controversy about the existence of bond contraction for small metal particles. © 1990 The American Physical Society.

引用

页码：3155 / 3158

页数：4

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