在半導體工業日新月異的進步下，固態薄膜已成為不可或缺的基本元件之一，尤其在不斷要求元件微型化的今日。在這趨勢下，利用傳統的巨觀塊體的觀念來探討薄膜的應力問題顯然已不足以提供準確的結果，而必須引用微觀原子等級的觀念來研究此類問題。本文乃應用分子動力學輔以原子級應力觀念來探討鈷/銅雙層薄膜以及在離子植佈中的三維應力問題，並藉由調整應力計算區域之高度來求得沿薄膜厚度方向的應力分布情形
　　由鈷/銅沉積薄膜之分析結果可知，在薄膜界面中原子錯排以及晶格不匹配會造成應力值的上升，而應力值的來源為原子之間的作用力和熱運動造成的，其中前者為主要造成應力上升的主因。離子植佈中，硼離子的濃度分佈受到基板旋轉角度的影響，當基板旋轉角度較大時離子越不容易入射到基板深層，矽基板表面的原子被高動能的離子轟擊後，造成許多空洞所以此區域的應力值大幅上升，而在經過快速退火後應力有大幅度衰減的現象，硼離子的分佈有向基板內部趨入集中的現象。由上述兩者的應力探討藉以希望能提供在製作薄膜中觀察應力分佈參考。

　　The progress of semiconductor industry changes with each passing day. The solid thin film becomes the fundamental device, especially the device is required to be tiny today. In this situation, it appears that discussing tresses in thin film can not provide accurate results by the traditional opinion of macro-block. It must introduce the atomic view to research this problem. In this thesis using the molecular dynamic theory and atomic stress opinion to discuss the three dimensional stress in Co/Cu thin film and ion implantation. By adjusting the calculating zone to calculate the distributional stress along with the thickness of thin film.
　　By the analysis of Co/Cu thin film, the raise of stress in thin film is caused by atomic dislocation and latticed mismatch and the main source are the atomic interaction and thermal motion which the former is the main factor to influence the stress. In the ion implantation the distribution of B is influenced by the angle rotation of substrate. When the substrate’s angle is larger the incident ion is harder to inject into the depth of substrate. There are a lots vacancy in the surface of substrate that will cause the raise of stress in this zone by bombing high energy ion. After rapid thermal process the stress will be decreasing and the B ion will concentrate on the inner of substrate. Above both discussion, hope it can provide the reference of stress’ contribution to fabricate the thin film.

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