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Computer Simulation of the Control of Electroplating

电镀控制的计算机模拟

基本信息

批准号：
11650066
负责人：
KANEKO Yutaka
金额：
$ 1.92万
依托单位：
KYOTO UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1999
资助国家：
日本
起止时间：
1999 至 2000
项目状态：
已结题

项目摘要

In this work, the surface structure of thin film deposited on a metal surface, the formation of defects within the film and the control of the surface growth have been studied using computer simulation methods. As a model of solution growth, we extended a basic Solid-on-Solid (SOS) model so that vacancies are created in the film during the growth and performed Monte Carlo simulations for a two-dimensional square lattice. Following results are obtained.1. The surface changes from a layer structure to a rough structure and the density of defects increases as the chemical potential (overpotential in electrodeposition) becomes large. For large overpotential, the nucleation occurs everywhere on the surface and the surface has a fine structure. These results correspond to experimental findings.2. Point defects (single vacancies) appear in the film when the surface has a layer structure. When the surface becomes rough, large voids are formed as well as point defects. The vacancies are created when hollow parts of the surface are filled with deposited atoms. The history of the surface growth is reflected in the void structure.3. When the surface has vias, voids are created and aligned in the direction of the growth. This will produce a pinhole in the film, resulting in the decrease in the corrosion resistance. Voids are also formed when the initial surface has trenches, corresponding to experimental copper deposition for interconnects.4. The simulations of heat treatment are also performed. The surface diffusion is enhanced when the temperature is high, and the roughness of the surface decreases.We also studied the mixing of two liquids (chaos mixing), and developed efficient Monte Carlo simulation algorithm by applying an importance sampling method.

在这项工作中，利用计算机模拟方法研究了沉积在金属表面上的薄膜的表面结构、薄膜内缺陷的形成以及表面生长的控制。作为溶液生长的模型，我们扩展了基本的固体对固体（SOS）模型，以便在生长过程中在薄膜中产生空位，并对二维方形晶格进行蒙特卡罗模拟。得到以下结果： 1．随着化学势（电沉积中的过电势）变大，表面从层状结构变为粗糙结构，并且缺陷密度增加。对于大的过电势，成核发生在表面各处，并且表面具有精细的结构。这些结果与实验结果相符。2．当表面具有层状结构时，薄膜中会出现点缺陷（单个空位）。当表面变得粗糙时，会形成大的空隙以及点缺陷。当表面的中空部分被沉积的原子填充时，就会产生空位。表面生长的历史反映在空隙结构中。 3．当表面有通孔时，会产生空隙并沿生长方向排列。这会在薄膜中产生针孔，导致耐腐蚀性下降。当初始表面有沟槽时也会形成空隙，对应于互连的实验铜沉积。4．还进行了热处理模拟。温度高时表面扩散增强，表面粗糙度降低。我们还研究了两种液体的混合（混沌混合），并通过应用重要采样方法开发了高效的蒙特卡罗模拟算法。