Mechanism for hydrogen diffusion in amorphous silicon

被引：47

作者：

Biswas, R ^{[1
]}

Li, QM

Pan, BC

Yoon, Y

机构：

[1] Iowa State Univ, Dept Phys, Microelect Res Ctr, Ames, IA 50011 USA

[2] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA

来源：

PHYSICAL REVIEW B | 1998年 / 57卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.57.2253

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Tight-binding molecular-dynamics calculations reveal a mechanism for hydro en diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicons and breaking their Si-Si bonds. The diffusing hydrogen carries with it a newly created dangling bond. These intermediate transporting states are densely populated in the network, have lower energies than H at the center of stretched Si-Si bonds, and can play a crucial role in hydrogen diffusion.

引用

页码：2253 / 2256

页数：4

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