STABILITY AND ELECTRONIC-PROPERTIES OF NANOSCALE SILICON CLUSTERS

被引：15

作者：

GONG, XG ^{[1
]}

机构：

[1] ACAD SINICA, INST SOLID STATE PHYS, HEFEI 230031, PEOPLES R CHINA

来源：

PHYSICAL REVIEW B | 1995年 / 52卷 / 20期

关键词：

D O I：

10.1103/PhysRevB.52.14677

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The Si-28 and M@Si-28 (M=tetravalent atoms) clusters have been studied by the density-functional theory. We find that both Si-28 and C-28 clusters have similar electronic structures, and the dangling bonds of the Size cluster can be stabilized by some superatoms. The covalent interaction between the Si-5 superatom and Si-28 cluster opens a gap at the Fermi level, which makes the Si-5@Si-28 cluster kinetically stable. In good agreement with experiments, a strong similarity in the density of states between silicon clusters and bulk phase has been observed.

引用

页码：14677 / 14681

页数：5

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