銅因具有低電阻率及較佳的抗熱遷移及電遷移能力，所以被廣泛地應用作為內連線材料。然而，銅與作為凸塊的錫在迴焊製程會隨溫度及時間增加而產生銅錫金屬間化合物，若產生過多的金屬間化合物則會使得焊錫接點的可靠度變差。在現今的封裝產業中，為了防止銅迅速擴散進入焊錫凸塊而產生過多的金屬間化合物，會在銅導線與焊錫凸塊間加上一層鎳作為擴散阻障層。而隨著可攜式電子產品微小化的趨勢，覆晶封裝銲錫凸塊也須隨之縮小，使得金屬間化合物在整體銲錫凸塊的體積比例大幅增加。此外，銲錫接點所需承載的電流密度也逐漸提高，在高電流密度的影響下，覆晶銲錫凸塊因熱遷移與電遷移產生可靠度的議題更為重要。非晶態金屬薄膜因無晶界的存在，使得銅原子不易擴散進入其中，且不易與銅互溶和產生反應的特性，被認為是有效阻止銅金屬與錫凸塊擴散的阻障層材料。由於在奈米尺度下進行實驗所需的時間和成本可能會非常大，因此本文採用分子動力學分析CuAg和ZrCuNiAl非晶金屬薄膜的材料性質，包括非晶態金屬薄膜的玻璃轉化過程、成分比例與淬火速率對材料內部微結構影響、非晶態比例對於擴散性質的分析以及多晶與非晶界面的強度分析。結果表明，對於CuAg合金，Cu20Ag80在25 K/ps的淬火速率下呈現50％的非晶態，但Cu40Ag60和Cu60Ag40在淬火速率介於0.25 K/ps和25 K/ps之間下，非晶比例超過95％，顯然它具有良好的玻璃形成能力。而就擴散方面而言，較高非晶比例的金屬其阻障效果也愈好。而在界面拉伸試驗中，由四種元素混合組成的ZrCuNiAl合金，在拉伸的過程中幾乎沒有應變產生，而空孔及缺陷幾乎是在多晶銅上會產生，這表明ZrCuNiAl / Cu界面的強度大於多晶銅。 從實驗結果可以看出，採用Zr53Cu30Ni9Al8 TFMG阻障層的試片，即使在125℃下經過500小時後也幾乎觀察不到IMC，這表明它具有良好的阻隔效果。

Copper has been widely used as an interconnect material due to its lower electrical resistivity and better thermomigration and electromigration resistance. However, as temperature and time increase during reflow process, Cu-Sn intermetallic compound gradually produced, excessive intermetallic compounds can result in poor reliability of solder bump. In the current , Ni as an barrier layer has been widely studied and industrially accepted in order to inhibit rapid copper diffusion in interconnect structures. The proportion of intermetallic compound ratio in the solder bumps will be increased due to the shrinking of package devices. In addition, the current density in the solder bump needs to be increased, under such high current density, the thermomigrtion and electromigration in the solder bump becomes a serious reliability issue . Amorphous metallic films have been considered to be the most effective barriers layer for Cu metallization due to the absence of grain boundaries and immiscibility with copper. The time and cost required for nano-scale experimant may be exceedingly large, and for this reason molecular dynamics have been used to analyze the material properties of CuAg and ZrCuNiAl amorphous metal films in this study, including the glass transition process of amorphous metal films, the effect of composition ratio and quenching rate on the internal microstructure of amorphous metal films, diffusion Properties and the strength of the interface between polycrystalline and amorphous thin film. The results show for CuAg alloys, Cu20Ag80 present 50% amorphous at quenching rate of 25 K/ps, but Cu40Ag60 and Cu60Ag40 present more than 95% of the amorphous at quenching rate Between 0.25 K/ps and 25 K/ps, which indicates that it has a good glass forming ability. For the diffusion side, the better barrier performance with heigher of the amorphous ratio. For the interfacial tensile test, the ZrCuNiAl alloys which consist of four elements mixed together, almost no strain occurs during tensile, and the initial void will be generated at polycrystal Cu, which indicates the strength of ZrCuNiAl/Cu interface is greater than polycrystal Cu. From the experiment, the sample with the Zr53Cu30Ni9Al8 TFMG barrier layer, almost no IMC can be observed even after aging at 125°C for 500 hr, which indicates that it has a good barrier effect.

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