Segregation Effects on the Metal-Carbide Interface

摘要

We employ density functional calculations to investigate the doped Al/TiC interfaces. The effects of different segregation atoms are discussed. The results show that the different transition metal atoms have different effects on the adhesion. Results of analysis of atom size and electronic structure have shown that both atom size and activity of the doped atom influence on the adhesion. Our results are consistent with other results of doped metal-oxide interface.