Nature of metal-ceramic adhesion: Computational experiments with Co on TiC

被引：77

作者：

Dudiy, SV ^{[1
]}

Hartford, J

Lundqvist, BI

机构：

[1] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[2] Univ Gothenburg, SE-41296 Gothenburg, Sweden

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.85.1898

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By means of first-principles computational experiments, the microscopic mechanism of metal-carbide adhesion is revealed. Density-functional-theory results for the Co/TiC(001) interface show the interface bonding to be dominated by Co-C bonds. The effective number of bonds is controlled by an interplay between lattice mismatch and relaxation effects. The particular strength of the Co-C bond is explained in terms of interface-induced features of the electronic states, in particular, a novel metal-modified covalent bend. The calculated adhesion strength agrees well with results of wetting experiments.

引用

页码：1898 / 1901

页数：4

共 32 条

[1] Structural, elastic, and high-pressure properties of cubic TiC, TiN, and TiO [J].