First-principles study of oxide growth on Si(100) surfaces and at SiO2/Si(100) interfaces

被引：226

作者：

Kageshima, H ^{[1
]}

Shiraishi, K ^{[1
]}

机构：

[1] NTT, Basic Res Labs, Kanagawa 2430198, Japan

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 26期

关键词：

D O I：

10.1103/PhysRevLett.81.5936

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The energetics of the atomic process of Si-oxide growth on Si(100) surfaces and at SiO2/Si(100) interfaces are theoretically studied by first-principles calculation. It is found that the stress induced during the growth plays a crucial role in the growth procedure itself. The preferential growth direction of the oxide nucleus on the surfaces is vertical to the substrate, whereas that at the interfaces is lateral. Moreover, Si atoms are inevitably emitted from the interface to release the stress induced during Si oxide growth.

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页码：5936 / 5939

页数：4

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