Surface passivant effects on electronic states of the band edge in Si-nanocrystals

被引：16

作者：

Dai, Y ^{[1
]}

Han, SH

Dai, DD

Zhang, Y

Qi, Y

机构：

[1] Shandong Univ, Sch Phys & Microelect, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[2] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA

来源：

SOLID STATE COMMUNICATIONS | 2003年 / 126卷 / 03期

关键词：

surface; Si nanocrystals; point defect;

D O I：

10.1016/S0038-1098(03)00086-3

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We studied the effect of the surface passivants fluorine (F). chlorine (0), oxygen (0) and oxygen-related OH on the energy band edge states of clusters with the same Si-29 and Si-47 core by means of the atomic cluster model and density functional theory (DFT). The results confirm that the electronic states of the band edge in clusters are sensitive to these passivants, and the passivant O that may form double bonded structure affects the band edge states most strongly. The results may be helpful for understanding and controlling the electrical and optical properties of nanocrystalline silicon. (C) 2003 Elsevier Science Ltd. All rights reserved.

引用

页码：103 / 106

页数：4

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