ナノスケール薄膜界面の剥離強度計算技術と測定技術(<小特集>数値計算と現実)

概要

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A molecular-dynamics technique for determining the adhesion strength of the interfaces between different materials has been developed. This technique evaluates the adhesion strength by calculating the adhesive fracture energy defined as the difference between the total potential energy of the material-connected state and that of the material-separated state. The extended Tersoff-type potential is applied to calculate the adhesive fracture energy of metal/ceramics interfaces as well as metal/metal interfaces. We used the technique to determine the adhesion strength of the interfaces between ULSI-interconnect materials (Al and Cu)and diffusion-barrier materials (TiN and W). Because the adhesion strength determined by this technique agrees well with that measured by scratch testing, this technique is considered to be effective for determining the adhesion strength. It was found that Ru is an effective underlayer material for preventing adhesive fracture of Cu interconnection films.
日本応用数理学会の論文
2004-12-22