First-principles study of ceramic interfaces: Structures and electronic and mechanical properties

被引：0

作者：

Kohyama, Masanori ^{[1
]}

Tanaka, Shingo ^{[1
]}

机构：

[1] Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology, Ikeda, Osaka

来源：

Key Engineering Materials | 2009年 / 403卷

关键词：

Ceramic/metal interface; Interface stoichiometry; Schottky-barrier height; Tensile strength;

D O I：

10.4028/3-908454-00-X.205

中图分类号：

学科分类号：

摘要：

First-principles calculations based on ddensity-functional theory are powerful tools to investigate the structure and properties of ceramic interfaces. The Schottky-barrier heights of SiC/metal and Al2O 3/metal interfaces have been examined, and significant effects of the interface stoichiometry (termination species) and metallic species have been found. Ab initio tensile tests have been applied to Al2O 3/CU and Al2O3/Ni interfaces, where the strength and features of failure also greatly depend on the interface stoichiometry and metallic species.

引用

页码：205 / 206

页数：1

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