Adhesion at TiNi interfaces with Ta, Mo and Si

Abstract

Atomic and electronic structure of (001) and (110) interfaces between TiNi and Ta, Mo, Si thin films are investigated by ab-initio method within density functional theory. It is shown that high adhesion properties can be attained at the Mo/TiNi(001)Ti interface, whereas the work of separation of Ta and Si films from alloy is substantial less. We found that the work of separation in case of (110) interface is lower than that at (001). Structural and electronic properties of considered interfaces are analysed. Our calculations of metal-oxide interfaces demonstrate that formation of intermediate titanium oxides layers can result in decrease of adhesion at Me/TiNi(110) interfaces.