STRUCTURE OF THE SI45 CLUSTER

被引：53

作者：

JELSKI, DA

SWIFT, BL

RANTALA, TT

XIA, XF

GEORGE, TF

机构：

[1] UNIV OULU,DEPT PHYS,SF-90570 OULU,FINLAND

[2] SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14260

[3] SUNY BUFFALO,DEPT PHYS & ASTRON,BUFFALO,NY 14260

[4] WASHINGTON STATE UNIV,DEPT CHEM,PULLMAN,WA 99164

[5] WASHINGTON STATE UNIV,DEPT PHYS,PULLMAN,WA 99164

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 95卷 / 11期

关键词：

D O I：

10.1063/1.461813

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Six structures for the Si45 cluster are compared using a tight-binding model. Two new structures are proposed which appear to be the low-energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.

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页码：8552 / 8560

页数：9

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