Atomic and electronic properties of spherical silicon clusters

被引：3

作者：

Erkoç, S ^{[1
]}

Katircioglu, S ^{[1
]}

机构：

[1] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey

来源：

PHYSICA E | 1999年 / 4卷 / 03期

关键词：

spherical silicon clusters; atomic properties; electronic properties;

D O I：

10.1016/S1386-9477(99)00009-0

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We have investigated the atomic and electronic properties of spherical ideal Si-N clusters (N = 5-417) using the empirical many-body potential energy function consisting of two- and three-body interactions, and by empirical tight-binding calculations, respectively. It has been found that the average interaction energy per atom decreases as the cluster size increases, and it becomes almost constant after the size N greater than or equal to 275. On the other hand, the band gap shows cluster size dependent characteristics; the band gap decreases as the cluster sire increases. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：185 / 191

页数：7

共 21 条

[1] STUDIES OF COHERENT AND DIFFUSE-X-RAY SCATTERING BY POROUS SILICON [J].