Motif transition in growth patterns of small to medium-sized silicon clusters

被引：111

作者：

Yoo, SH

Zeng, XC ^{[1
]}

机构：

[1] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA

[2] Univ Nebraska, Ctr Mat Res & Anal, Lincoln, NE 68588 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 10期

关键词：

ab initio calculations; cluster compounds; density functional calculations; silicon;

D O I：

10.1002/anie.200461753

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Generic structural motif: Small to medium-sized, energetically low-lying silicon clusters Sin (11 < n < 30) are generally prolate in shape. Starting from Si16, DFT calculations show that silicon clusters are most likely built on a generic structural motif consisting of an Si6 sixfold puckered ring subunit (dark green) and a magic-number cluster such as the Si6 tetragonal bipyramid (light green), rather than on the Si9 tricapped trigonal prism (pink). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：1491 / 1494

页数：4

共 23 条

[1] Semiconductor clusters, nanocrystals, and quantum dots [J].