It is well-known that Cu–Sn intermetallic compounds are easily produced during reflow process and result in poor reliability of solder bump. Recently, amorphous metallic films have been considered to be the most effective barrier layer because of the absence of grain boundaries and immiscibility with copper. Since Cu–Ag alloys are characterized by their lower electrical resistivity and superior glass-forming ability, they are appropriate to be used as the diffusion barrier layers. In this study, molecular dynamics simulation was performed to investigate the effects of composition ratio and quenching rate on the internal microstructure, diffusion properties, and the strength of the interface between polycrystalline Cu and Cu–Ag barrier layers. The results showed that Cu40Ag60 and Cu60Ag40 present more than 95% of the amorphous at quenching rate between 0.25 and 25 K/ps, indicating a good glass-forming ability. Diffusion simulation showed that a better barrier performance can be achieved with higher amorphous ratio. For the sample of Cu20Ag80 with quenching rate of 25 K/ps, a void is initially generated in amorphous Cu–Ag layer during the tensile test. This indicates the strength of amorphous Cu–Ag is weaker than Cu–Ag/Cu interface and the polycrystalline Cu layer.
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