Mechanisms of Polycrystalline Growth of SiGe in Thermal CVD Processes using Si_2H_6 and GeF_4

摘要

The mechanism of SiGe film growth from Si_2H_6 and GeF_4 was examined by ab initio B3LYP/6-31G** calculations using three cluster surface models. Energies of reaction and activation were calculated, and the process of SiGe film growth was analyzed. It was found that the reaction of GeF_4 with Si_2H_6 formed GeF_2 by much lower activation energy than decomposition of GeF_4 In addition, GeF_2 made activation energy of surface reactions lower than using only Si_2H_6.