Possible lowest-energy geometry of silicon clusters Si21 and Si25

被引：74

作者：

Yoo, S ^{[1
]}

Zeng, XC ^{[1
]}

Zhu, XL ^{[1
]}

Bai, J ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 44期

关键词：

D O I：

10.1021/ja0365678

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Possible lowest-energy structures of Si21 and Si25 are found on the basis of the starting structures obtained via the global search for nearly identical low-energy Stillinger?Weber (SW) and modified-SW structures. The fact that the lowest-energy structures are spherical-like may suggest that the prolate-to-spherical-like structural transition for the silicon cluster Sin is likely to occur in the range of 21 < n < 25. Copyright © 2003 American Chemical Society.

引用

页码：13318 / 13319

页数：2

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