硅离子簇的理论研究

Theoretical study of ionic silicon clusters

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageChinese (Simplified)
Pages (from-to)805-810
Journal / Publication半导体学报
Volume16
Issue number11
Publication statusPublished - Nov 1995
Externally publishedYes

Abstract

本文采用 MNDO 方法研究了 Sin, Sin+ 和 Sin2+ (n=2-6) 簇的原子结构,得到了一系列稳定的簇结构,并确定出每一类簇所对应的最佳稳定结构.从中发现,无论 Sin, Sin+ 还是 Sin2+ 簇,都存在共同的“幻数’,即 4, 5, 6, 然而, Sin, Sin和 Sin2+ 对应的稳定结构一般是各不相同的.本文的结构说明,以往人们单纯从中性 Si簇的研究去推断并解释 Si离子族的结构和性质是不恰当的,荷电将改变原子簇的构型.文中还指出了几个以前没有发现的稳定构型.
The atomic structures of Sin, Sin+ and Sin2+ (n=2-6) have been studied by using MNDO method. A series of equilibrium structures have been obtained, the most stable ones are determined. Sin, Sin+ and Sin2+ have the common magic numbers which are 4, 5 and 6, but the corresponding equilibrium structures are different. The results suggest that it is unreasonable to deduce the structures of ionic silicon clusters from those of neutral silicon clusters and that charging can change the structures of atomic clusters. Moreover, several new equilibrium structures are also given.

Bibliographic Note

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Citation Format(s)

硅离子簇的理论研究. / 楚天舒; 张瑞勤; 戴国才.
In: 半导体学报, Vol. 16, No. 11, 11.1995, p. 805-810.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review