SPHERICAL CLUSTERS OF SIMPLE METALS - MADELUNG ENERGIES AND STRUCTURES

被引：38

作者：

MANNINEN, M

机构：

[1] Cornell Univ, Ithaca, NY, USA, Cornell Univ, Ithaca, NY, USA

来源：

SOLID STATE COMMUNICATIONS | 1986年 / 59卷 / 05期

关键词：

SOLIDS; -; Theory;

D O I：

10.1016/0038-1098(86)90408-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The Madelung energies of simple metal spheres are calculated for bcc, fcc, and hcp structures as well as for fully relaxed structures. It is found that for clusters of up to 40 atoms the structure generally does not have the symmetry of any simple lattice. The variation of the structural part of the total energy is shown to be slightly smaller than the variation arising from filling of discrete single-electron energy levels.

引用

页码：281 / 284

页数：4

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