Energetics of silicon suboxides

被引：70

作者：

Hamann, DR ^{[1
]}

机构：

[1] Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.61.9899

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Substoichiometric oxides of Si are modeled by a simple and consistent set of structures that allow the energy penalty associated with the substoichiometry to be calculated. The energies are evaluated by generalized-gradient density-functional theory, and trends in the electronic structure are described.

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页码：9899 / 9901

页数：3

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