Molecular Dynamic Simulation for Film Deposition on Si Substrate

• Main Authors: Yi-Hung Li, 李宜鴻
• Other Authors: Shun-Fa Hwang
• Format: Others
• Language: zh-TW
• Published: 2011
• Online Access: http://ndltd.ncl.edu.tw/handle/12191817392747802208

碩士 === 國立雲林科技大學 === 機械工程系碩士班 === 99 === Molecular dynamic simulation for Cu cluster deposition on Si substrate is investigated in this work. Morse two-body potential was used to describe the Si-Cu atomic interaction. Tersoff and TB-SMA many-body potential were used to describe the interaction of Si-Si and Cu-Cu, respectively. Different values of substrate temperature, incident energy and cluster size were investigated. Results indicated that increasing the substrate temperature could reduce the surface roughness, but the mixing condition becomes more serious. As for the incident energy, increasing the incident energy helps to reduce the surface roughness. However, high incident energy will damage the substrate to increase the surface roughness. Increasing the incident energy could make the mix condition more serious. Also, the residual stress will be increased from negative to positive on the substrate with the incident energy, but the film is opposite. In the aspect of cluster size, increasing the cluster size could make the surface roughness rise, the mixing condition more serious, and the residual stress rise. Furthermore, molecular dynamic simulation for Co cluster deposition on V-groove is investigated. Tersoff many-body potential was used to describe the Si-Si atomic interaction. The interaction between Co-Co and Si-Co was described by TB-SMA potential. The effects of substrate temperature and incident energy were considered. After deposition, annealing process was simulated by considering different annealing temperature. Results indicated that increasing the incident energy helps to reduce the surface roughness. However, high incident energy makes the deposition atoms concentrating in the bottom of V-groove and increases the surface roughness. Increasing the incident energy could make the mix condition more serious. Under the condition of low incident energy, increasing the substrate temperature slightly makes the surface roughness rise and the mixing condition more serious. As for the surface roughness, there is a minimum when the incident energy is about 5 eV and annealing temperature is about 1100K.