MD analyses of surface reaction and adsorbed free particle behavior in LP-CVD silicon wafer processing

By using the molecular dynamics method (MD) and computer graphics (CG), the surface processing mechanism of SiH2-->Si+2H in LP-CVD silicon wafer fabri cation is analyzed, in which we introduce a chemical reaction model consist ing of the activating energy and attack angle between SiH2 gaseous molecule s and Si atom monocrystalline. The atom surface adsorption and inelastic co llision are discussed considering energy exchange between the particles and surface. Moreover, the potential state and behavior of hydrogen atom adsor bed as a free particle are also calculated and discussed. The relevant pote ntial surface of H free particle in the Si crystal lattice is found to be u seful to understand its potential state and behavior.